Geometry & MOs

Info

ID:	120716
PubChem CID:	50741971
Reduced:	OSN3C10H11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	266.065989
ΔH_f, kcal/mol:	-8.78
Dipole, Da:	3.28
IP(EA), eV:	-9.45(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(carbamothioylhydrazinylidene)-N-(4-methylphenyl)propanethioamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C(=O)N=C(N2)SC)C

DOS

IR

Vibrations