Geometry & MOs

Info

ID:	193870
PubChem CID:	78449755
Reduced:	ClN2O5C20H21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	346.189257
ΔH_f, kcal/mol:	-183.92
Dipole, Da:	4.33
IP(EA), eV:	-8.78(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(cyclohexylamino)-2-oxoethyl] 3-acetamido-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC(=O)NC(CC(=O)OCC(=O)NC1=C(C=CC(=C1)Cl)OC)C2=CC=CC=C2

DOS

IR

Vibrations