Geometry & MOs

Info

ID:	33225
PubChem CID:	7885497
Reduced:	NSO3C19H21 (1)
Stoich.:	ABC3D19E21 (1)
Weight, g/mol:	385.200156
ΔH_f, kcal/mol:	-94.7
Dipole, Da:	5.07
IP(EA), eV:	-8.85(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(=O)OCC2=CC=C(C=C2)SC)C

DOS

IR

Vibrations