Geometry & MOs

Info

ID:	175045
PubChem CID:	75849942
Reduced:	F2N2O2C19H22 (1)
Stoich.:	A2B2C2D19E22 (1)
Weight, g/mol:	334.146347
ΔH_f, kcal/mol:	-151.63
Dipole, Da:	1.78
IP(EA), eV:	-8.69(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dicyano-4,4-dimethyl-6-oxo-3,5-dihydropyridin-2-yl)sulfanyl]-N-pentan-2-ylacetamide

Drug info:

PubChemData

Smile

CC(CC1=C(C=CC=C1F)F)NC(=O)NCCC2=CC=C(C=C2)OC

DOS

IR

Vibrations