Geometry & MOs

Info

ID:	338836
PubChem CID:	127259847
Reduced:	ClSN2O2H11C15 (1)
Stoich.:	ABC2D2E11F15 (1)
Weight, g/mol:	298.077599
ΔH_f, kcal/mol:	65.55
Dipole, Da:	5.12
IP(EA), eV:	-8.99(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)-3-[(E)-2-nitroethenyl]benzenecarbothioamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/[N+](=O)[O-])C(=S)NC2=CC=C(C=C2)Cl

DOS

IR

Vibrations