Geometry & MOs

Info

ID:	401300
PubChem CID:	135050860
Reduced:	Cl2O2N3H9C10 (1)
Stoich.:	A2B2C3D9E10 (1)
Weight, g/mol:	252.968977
ΔH_f, kcal/mol:	14.29
Dipole, Da:	7.1
IP(EA), eV:	-9.81(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-sulfanylidenedithiol-4-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/N[N+]#N.C(C(=O)[O-])(Cl)Cl

DOS

IR

Vibrations