Geometry & MOs

Info

ID:	243562
PubChem CID:	99226838
Reduced:	FO2S2N3H16C21 (1)
Stoich.:	AB2C2D3E16F21 (1)
Weight, g/mol:	392.06179
ΔH_f, kcal/mol:	-14.46
Dipole, Da:	5.72
IP(EA), eV:	-8.56(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)C3=CN=C(S3)C4=CC=CC=C4F

DOS

IR

Vibrations