Geometry & MOs

Info

ID:	237254
PubChem CID:	92718033
Reduced:	ClN2O4C24H27 (1)
Stoich.:	AB2C4D24E27 (1)
Weight, g/mol:	442.165935
ΔH_f, kcal/mol:	-152.94
Dipole, Da:	4.28
IP(EA), eV:	-9.54(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(R)-(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NCC(=O)OCC(=O)N[C@@H](C2=CC=CC=C2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations