Geometry & MOs

Info

ID:	237040
PubChem CID:	92717049
Reduced:	ClN2O5H19C23 (1)
Stoich.:	AB2C5D19E23 (1)
Weight, g/mol:	438.098249
ΔH_f, kcal/mol:	-72.05
Dipole, Da:	3.89
IP(EA), eV:	-9.53(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(R)-(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 3-methyl-4-nitrobenzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)OCC(=O)N[C@@H](C2=CC=CC=C2)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations