Geometry & MOs

Info

ID:	63872
PubChem CID:	26759384
Reduced:	NSO7C19H21 (1)
Stoich.:	ABC7D19E21 (1)
Weight, g/mol:	388.199822
ΔH_f, kcal/mol:	-243.88
Dipole, Da:	3.0
IP(EA), eV:	-8.34(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC(=O)OCC(=O)NC2=CC=CC=C2S(=O)(=O)C)OC

DOS

IR

Vibrations