Geometry & MOs

Info

ID:	192170
PubChem CID:	78235923
Reduced:	SO2N4H16C18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	431.98917
ΔH_f, kcal/mol:	46.58
Dipole, Da:	1.85
IP(EA), eV:	-9.02(-2.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-ethoxy-N-[(2-oxobenzimidazol-5-yl)carbamothioyl]benzamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=NC(=O)N=C3C=C2

DOS

IR

Vibrations