Geometry & MOs

Info

ID:	178047
PubChem CID:	76269510
Reduced:	ClN2O5H23C24 (1)
Stoich.:	AB2C5D23E24 (1)
Weight, g/mol:	443.242021
ΔH_f, kcal/mol:	-145.9
Dipole, Da:	6.38
IP(EA), eV:	-9.33(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)OCC(=O)NCCC2=CC=C(C=C2)Cl)NC(=O)C3=CC=CO3

DOS

IR

Vibrations