Geometry & MOs

Info

ID:	175592
PubChem CID:	75925422
Reduced:	FSO2N3H22C24 (1)
Stoich.:	ABC2D3E22F24 (1)
Weight, g/mol:	342.140199
ΔH_f, kcal/mol:	-60.7
Dipole, Da:	4.86
IP(EA), eV:	-8.7(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(oxolan-2-yl)-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=CC(=C3)CSC4=CC=CC=N4)F

DOS

IR

Vibrations