Geometry & MOs

Info

ID:	65997
PubChem CID:	46484916
Reduced:	SO2N5C21H21 (1)
Stoich.:	AB2C5D21E21 (1)
Weight, g/mol:	457.03473
ΔH_f, kcal/mol:	19.09
Dipole, Da:	4.7
IP(EA), eV:	-8.95(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromophenyl)methylsulfanyl]-N-(3,4-dimethoxyphenyl)benzamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)CNC(=O)C4=CC=CS4

DOS

IR

Vibrations