Geometry & MOs

Info

ID:	37137
PubChem CID:	8017313
Reduced:	ClS2N4C16H17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	350.024039
ΔH_f, kcal/mol:	68.78
Dipole, Da:	8.43
IP(EA), eV:	-8.72(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-chlorobenzoyl)amino]-3-(4-nitrophenyl)thiourea

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=S)NNC(=S)NC2=CC=C(C=C2)Cl)C

DOS

IR

Vibrations