Geometry & MOs

Info

ID:	407292
PubChem CID:	135079757
Reduced:	FOSN3H8C10 (1)
Stoich.:	ABCD3E8F10 (1)
Weight, g/mol:	253.007661
ΔH_f, kcal/mol:	-16.23
Dipole, Da:	3.84
IP(EA), eV:	-9.13(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloroanilino)-2-cyano-3-sulfanylidenepropanamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)NC(=S)C(C#N)C(=O)N

DOS

IR

Vibrations