Geometry & MOs

Info

ID:	22188
PubChem CID:	596213
Reduced:	FSN2O2C19H19 (1)
Stoich.:	ABC2D2E19F19 (1)
Weight, g/mol:	358.115127
ΔH_f, kcal/mol:	-58.43
Dipole, Da:	2.97
IP(EA), eV:	-8.95(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)SCCCC(=O)C2=CC=C(C=C2)F)C#N)COC

DOS

IR

Vibrations