Geometry & MOs

Info

ID:	407203
PubChem CID:	135079559
Reduced:	NSO3H11C12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	311.039834
ΔH_f, kcal/mol:	-90.2
Dipole, Da:	6.05
IP(EA), eV:	-8.91(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-(3-methyl-5-methylsulfonylanilino)-3-sulfanylidenepropanamide

Drug info:

PubChemData

Smile

CC(=O)C1=C(NC2=C(C1=O)C=C(C=C2)OC)S

DOS

IR

Vibrations