Geometry & MOs

Info

ID:	313031
PubChem CID:	126610830
Reduced:	ClNO4C17H24 (1)
Stoich.:	ABC4D17E24 (1)
Weight, g/mol:	779.468058
ΔH_f, kcal/mol:	-192.69
Dipole, Da:	3.07
IP(EA), eV:	-9.43(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-O-[3-[2-[2-[(6Z)-6-amino-6-(2,5-dioxopyrrolidin-1-yl)imino-3,3,5,5-tetramethylhexanimidoyl]oxyethoxy]-2-methylpropoxy]-3-methylbutyl] 1-O-(2,5-dioxopyrrolidin-1-yl) 2,2,4,4-tetramethylhexanedioate

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

CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(C2=CC=C(C=C2)Cl)O)OC

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

CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(C2=CC=C(C=C2)Cl)O)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):