Geometry & MOs

Info

ID:	228290
PubChem CID:	87563817
Reduced:	NSO3C4H5 (1)
Stoich.:	ABC3D4E5 (1)
Weight, g/mol:	406.99393
ΔH_f, kcal/mol:	-122.28
Dipole, Da:	2.73
IP(EA), eV:	-9.7(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[(4-carbamoylphenyl)-sulfanylcarbamoyl]-4-methylbenzamide

Drug info:

PubChemData

Smile

C1C(=O)NC(S1)OC=O

DOS

IR

Vibrations