Geometry & MOs

Info

ID:	420690
PubChem CID:	135114670
Reduced:	SN2O4C20H30 (1)
Stoich.:	AB2C4D20E30 (1)
Weight, g/mol:	351.134969
ΔH_f, kcal/mol:	-173.17
Dipole, Da:	7.07
IP(EA), eV:	-8.57(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-N-(4-aminocyclohexyl)-3-(2-chlorophenyl)-5-oxomorpholine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N(CC(=O)N2CCC[C@]3(C2)CCC[C@H]3OC)S(=O)(=O)C

DOS

IR

Vibrations