Geometry & MOs

Info

ID:	394821
PubChem CID:	135023864
Reduced:	OBr2N2H22C23 (1)
Stoich.:	AB2C2D22E23 (1)
Weight, g/mol:	418.171499
ΔH_f, kcal/mol:	18.08
Dipole, Da:	3.5
IP(EA), eV:	-9.28(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-tert-butyl-2-(4-methylphenyl)sulfonyl-3-phenyl-3H-isoindol-1-imine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[C@H]([C@H](C2=CC(=C(C=C2)C)Br)NC(=O)C3=CC=CC=C3)N)Br

DOS

IR

Vibrations