Geometry & MOs

Info

ID:	25466
PubChem CID:	625395
Reduced:	OSN2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	286.125218
ΔH_f, kcal/mol:	53.7
Dipole, Da:	5.89
IP(EA), eV:	-8.97(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-(dimethylaminomethylidene)-3-[4-(dimethylamino)phenyl]prop-2-enethioamide

Drug info:

PubChemData

Smile

CCSC1=CC(=C(C#N)C#N)C=CC(=C1OC)C(C)C

DOS

IR

Vibrations