Geometry & MOs

Info

ID:	135463
PubChem CID:	51874949
Reduced:	OSN3F4H17C19 (1)
Stoich.:	ABC3D4E17F19 (1)
Weight, g/mol:	411.102846
ΔH_f, kcal/mol:	-176.02
Dipole, Da:	9.03
IP(EA), eV:	-9.4(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)S[C@@H](C)C(=O)N(C)CC2=CC(=CC=C2)F)C#N)C(F)(F)F

DOS

IR

Vibrations