Geometry & MOs

Info

ID:	228297
PubChem CID:	87563843
Reduced:	SN2O3H6C8 (1)
Stoich.:	AB2C3D6E8 (1)
Weight, g/mol:	392.97828
ΔH_f, kcal/mol:	-59.55
Dipole, Da:	3.57
IP(EA), eV:	-8.8(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=O)C(=S(=O)=O)N2

DOS

IR

Vibrations