Geometry & MOs

Info

ID:	418127
PubChem CID:	135103634
Reduced:	NSO2C7H10 (2)
Stoich.:	ABC2D7E10 (2)
Weight, g/mol:	377.187005
ΔH_f, kcal/mol:	-75.54
Dipole, Da:	3.65
IP(EA), eV:	-9.26(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)S(=O)(=O)N2C[C@@H]3COC[C@H](C2)N(C3=O)C

DOS

IR

Vibrations