Geometry & MOs

Info

ID:	417980
PubChem CID:	135103212
Reduced:	FN2O3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	379.156577
ΔH_f, kcal/mol:	-113.29
Dipole, Da:	5.56
IP(EA), eV:	-8.52(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N,3,4-trimethyl-5-sulfamoylbenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CCOC23CCN(CC3)C4=C(C=NC=C4)F)OC

DOS

IR

Vibrations