Geometry & MOs

Info

ID:	135462
PubChem CID:	51874339
Reduced:	SCl2O2N4H18C22 (1)
Stoich.:	AB2C2D4E18F22 (1)
Weight, g/mol:	411.102846
ΔH_f, kcal/mol:	30.35
Dipole, Da:	8.78
IP(EA), eV:	-8.72(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)[C@@H](C2=CC=CC=C2)SC3=NN=C4N3C=C(C=C4Cl)Cl

DOS

IR

Vibrations