Geometry & MOs

Info

ID:	134527
PubChem CID:	51711577
Reduced:	NO2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	426.215472
ΔH_f, kcal/mol:	-151.68
Dipole, Da:	5.62
IP(EA), eV:	-9.68(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations