Geometry & MOs

Info

ID:	61169
PubChem CID:	26706557
Reduced:	SN2O2C18H20 (1)
Stoich.:	AB2C2D18E20 (1)
Weight, g/mol:	471.07937
ΔH_f, kcal/mol:	-40.9
Dipole, Da:	3.07
IP(EA), eV:	-8.86(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propanoylamino]-N-[(2S)-butan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)C1=CC=CC=C1NC(=O)/C=C/C2=CC=CS2

DOS

IR

Vibrations