Geometry & MOs

Info

ID:	298521
PubChem CID:	117650572
Reduced:	O3H14C16 (1)
Stoich.:	A3B14C16 (1)
Weight, g/mol:	1544.77868
ΔH_f, kcal/mol:	-82.66
Dipole, Da:	3.42
IP(EA), eV:	-9.64(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,5R)-2-[(1R,2S)-3-[(2R,3S)-3-amino-6-[[(4-bromophenyl)sulfonylamino]methyl]oxan-2-yl]oxy-4,6-bis[(4-bromophenyl)sulfonylamino]-2-hydroxycyclohexyl]oxy-4-[(4-bromophenyl)sulfonylamino]-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] 4-bromobenzenesulfonate

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

CCC(=O)C1=CC=CC(=C1C(=O)O)C2=CC=CC=C2

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

CCC(=O)C1=CC=CC(=C1C(=O)O)C2=CC=CC=C2

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):