Geometry & MOs

Info

ID:	410759
PubChem CID:	135083560
Reduced:	SN3C10H21 (1)
Stoich.:	AB3C10D21 (1)
Weight, g/mol:	247.077933
ΔH_f, kcal/mol:	0.64
Dipole, Da:	5.86
IP(EA), eV:	-8.06(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-(3,5-dimethylanilino)-3-sulfanylidenepropanamide

Drug info:

PubChemData

Smile

CC(C)N(C(C)C)C(=S)/N=C/N(C)C

DOS

IR

Vibrations