Geometry & MOs

Info

ID:	155834
PubChem CID:	56367740
Reduced:	BrSO2N3H16C19 (1)
Stoich.:	ABC2D3E16F19 (1)
Weight, g/mol:	471.92787
ΔH_f, kcal/mol:	-4.36
Dipole, Da:	6.36
IP(EA), eV:	-8.93(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-bromophenyl)-2-(4-bromo-2-methylphenyl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)Br)NC(=O)C2=CSC(=N2)CC3=CC=CC=C3

DOS

IR

Vibrations