Geometry & MOs

Info

ID:	421314
PubChem CID:	135115773
Reduced:	ON2C22H28 (1)
Stoich.:	AB2C22D28 (1)
Weight, g/mol:	381.135842
ΔH_f, kcal/mol:	-3.11
Dipole, Da:	2.22
IP(EA), eV:	-8.8(-0.36)
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]-2-methoxy-N-methyl-5-sulfamoylbenzamide

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)CC3=CC=C(C=C3)C4=CN=CC=C4

DOS

IR

Vibrations