Geometry & MOs

Info

ID:	420574
PubChem CID:	135114032
Reduced:	NSO5C13H17 (1)
Stoich.:	ABC5D13E17 (1)
Weight, g/mol:	363.171355
ΔH_f, kcal/mol:	-205.34
Dipole, Da:	10.22
IP(EA), eV:	-10.13(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-methylamino]-N-[2-(3-chlorophenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1S(=O)(=O)N2CC[C@H]([C@H](C2)C(=O)O)O

DOS

IR

Vibrations