Geometry & MOs

Info

ID:	405213
PubChem CID:	135073046
Reduced:	ClNOSC17H18 (1)
Stoich.:	ABCDE17F18 (1)
Weight, g/mol:	438.96055
ΔH_f, kcal/mol:	-8.64
Dipole, Da:	4.83
IP(EA), eV:	-8.65(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-bromo-N-(3-bromophenyl)-2-methyl-3-oxobutanamide

Drug info:

PubChemData

Smile

CCN(C1=CC=C(C=C1)Cl)C(=O)C(C2=CC=CC=C2)SC

DOS

IR

Vibrations