Geometry & MOs

Info

ID:	134528
PubChem CID:	51711578
Reduced:	N2O5C24H30 (1)
Stoich.:	A2B5C24D30 (1)
Weight, g/mol:	426.215472
ΔH_f, kcal/mol:	-194.27
Dipole, Da:	1.6
IP(EA), eV:	-9.86(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(1S)-2-[(2R)-1-hydroxybutan-2-yl]imino-4,4-dimethyl-6-oxocyclohexyl]-4-oxobutyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC[C@@H](CO)N=C1CC(CC(=O)[C@H]1C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)(C)C

DOS

IR

Vibrations