Geometry & MOs

Info

ID:	176412
PubChem CID:	76045230
Reduced:	BRhP2F4C22H45 (1)
Stoich.:	ABC2D4E22F45 (1)
Weight, g/mol:	1076.600529
ΔH_f, kcal/mol:	-374.82
Dipole, Da:	4.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753311
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-amino-1-hydroxy-3-oxopropyl)-6-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-21,22,26-trihydroxy-15-(1-hydroxyethyl)-11-methyl-2,5,8,14,17,24-hexaoxo-1,4,7,13,16,23-hexazatricyclo[23.3.0.09,13]octacosan-19-yl]-10,12-dimethyltetradecanamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

[B-](F)(F)(F)F.C[C-](C)C.CC(C)(C)P(CPC)C(C)(C)C.C1CC=CCCC=C1.[Rh]

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

[B-](F)(F)(F)F.C[C-](C)C.CC(C)(C)P(CPC)C(C)(C)C.C1CC=CCCC=C1.[Rh]

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):