Geometry & MOs

Info

ID:	297884
PubChem CID:	117636367
Reduced:	NO2S2C16H17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	359.091532
ΔH_f, kcal/mol:	-41.46
Dipole, Da:	3.57
IP(EA), eV:	-9.55(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-tert-butylsulfinylimino-N-[4-cyano-3-(trifluoromethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CCCCCCN1C(=O)C2=C(C3=C(C1=O)C=CS3)SC=C2

DOS

IR

Vibrations