Geometry & MOs

Info

ID:	342437
PubChem CID:	127265592
Reduced:	NOC9H17 (2)
Stoich.:	ABC9D17 (2)
Weight, g/mol:	338.05367
ΔH_f, kcal/mol:	-115.87
Dipole, Da:	3.12
IP(EA), eV:	-8.52(1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-difluoro-5-methylphenyl)sulfonyl-3-pyridin-3-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC1CCC(CN1CC=CCN2CC(CCC2C)CO)CO

DOS

IR

Vibrations