Geometry & MOs

Info

ID:	297401
PubChem CID:	117616897
Reduced:	NOSC8H11 (1)
Stoich.:	ABCD8E11 (1)
Weight, g/mol:	513.241627
ΔH_f, kcal/mol:	-21.98
Dipole, Da:	1.48
IP(EA), eV:	-8.64(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-methyl-5-(propan-2-ylideneamino)-2,3-dihydro-1-benzazepine-1-carbonyl]phenyl]-2-phenylbenzamide

Drug info:

PubChemData

Smile

CC(C)SC1=CC(=C)NC1=O

DOS

IR

Vibrations