Geometry & MOs

Info

ID:	58048
PubChem CID:	24423716
Reduced:	SO2N3H21C22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	425.096476
ΔH_f, kcal/mol:	-2.19
Dipole, Da:	8.8
IP(EA), eV:	-8.29(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-chloro-4-methylphenyl)carbamothioylamino]-N-(4-methoxyphenyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=S)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations