Geometry & MOs

Info

ID:	235649
PubChem CID:	92710316
Reduced:	BrN2O2H19C23 (1)
Stoich.:	AB2C2D19E23 (1)
Weight, g/mol:	434.06299
ΔH_f, kcal/mol:	-11.58
Dipole, Da:	5.88
IP(EA), eV:	-8.69(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-benzoyl-N-(4-bromo-3-methylphenyl)-2,3-dihydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)[C@@H]2CC3=CC=CC=C3N2C(=O)C4=CC=CC=C4)Br

DOS

IR

Vibrations