Geometry & MOs

Info

ID:	338832
PubChem CID:	127259843
Reduced:	NOSH13C14 (1)
Stoich.:	ABCD13E14 (1)
Weight, g/mol:	284.061949
ΔH_f, kcal/mol:	26.27
Dipole, Da:	3.09
IP(EA), eV:	-8.48(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-2-nitroethenyl]-N-phenylbenzenecarbothioamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N/C(=C\2/C=CC=CC2=O)/S

DOS

IR

Vibrations