Geometry & MOs

Info

ID:	63655
PubChem CID:	26758884
Reduced:	NSO6H19C21 (1)
Stoich.:	ABC6D19E21 (1)
Weight, g/mol:	394.189257
ΔH_f, kcal/mol:	-182.37
Dipole, Da:	4.03
IP(EA), eV:	-8.89(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 3-methoxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC2=CC=CC=C2C=C1C(=O)OCC(=O)NC3=CC=CC=C3S(=O)(=O)C

DOS

IR

Vibrations