Geometry & MOs

Info

ID:	58049
PubChem CID:	24423721
Reduced:	ClSO2N3H20C22 (1)
Stoich.:	ABC2D3E20F22 (1)
Weight, g/mol:	405.151098
ΔH_f, kcal/mol:	-10.48
Dipole, Da:	8.58
IP(EA), eV:	-8.31(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-ethylphenyl)carbamothioylamino]-N-(4-methoxyphenyl)benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations