Geometry & MOs

Info

ID:	54282
PubChem CID:	16957370
Reduced:	SF3N3H10C16 (1)
Stoich.:	AB3C3D10E16 (1)
Weight, g/mol:	393.112268
ΔH_f, kcal/mol:	-49.48
Dipole, Da:	8.15
IP(EA), eV:	-9.46(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)SCC2=CC=C(C=C2)C#N)C#N)C(F)(F)F

DOS

IR

Vibrations