Geometry & MOs

Info

ID:	63949
PubChem CID:	26759544
Reduced:	NSO6C18H19 (1)
Stoich.:	ABC6D18E19 (1)
Weight, g/mol:	358.189257
ΔH_f, kcal/mol:	-209.96
Dipole, Da:	6.6
IP(EA), eV:	-8.82(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations