Geometry & MOs

Info

ID:	305158
PubChem CID:	124766687
Reduced:	NS2O6C18H25 (1)
Stoich.:	AB2C6D18E25 (1)
Weight, g/mol:	435.179421
ΔH_f, kcal/mol:	-257.0
Dipole, Da:	7.67
IP(EA), eV:	-8.7(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[(1R,3R)-3-methylcyclohexyl]-3-(4-nitrophenyl)propanamide

Drug info:

PubChemData

Smile

COC(=O)CCCC[C@H]1[C@@H]([C@H](CS1)NC(=O)C2=CC=CC=C2)OS(=O)(=O)C

DOS

IR

Vibrations