Geometry & MOs

Info

ID:	228011
PubChem CID:	87563221
Reduced:	NO2S2H17C18 (1)
Stoich.:	AB2C2D17E18 (1)
Weight, g/mol:	359.091532
ΔH_f, kcal/mol:	13.02
Dipole, Da:	4.94
IP(EA), eV:	-9.32(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(S)-tert-butylsulfinyl]imino-N-[4-cyano-3-(trifluoromethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CCC(C#N)OC(=S)C1=CC=CC=C1.C1=CC=C(C=C1)C(=O)S

DOS

IR

Vibrations