Geometry & MOs

Info

ID:	196317
PubChem CID:	78811242
Reduced:	ClFOSN2H14C18 (1)
Stoich.:	ABCDE2F14G18 (1)
Weight, g/mol:	399.107519
ΔH_f, kcal/mol:	-8.69
Dipole, Da:	5.44
IP(EA), eV:	-9.55(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[3-(1,3-dithiolan-2-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)F)C(=O)C2=CSC(=N2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations