Geometry & MOs

Info

ID:	338835
PubChem CID:	127259846
Reduced:	BrClNOSH9C13 (1)
Stoich.:	ABCDEF9G13 (1)
Weight, g/mol:	318.022977
ΔH_f, kcal/mol:	28.34
Dipole, Da:	3.57
IP(EA), eV:	-8.83(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-4-[(E)-2-nitroethenyl]benzenecarbothioamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N/C(=C\2/C=C(C=CC2=O)Cl)/S)Br

DOS

IR

Vibrations