Geometry & MOs

Info

ID:	237039
PubChem CID:	92717046
Reduced:	NO3H10C12 (2)
Stoich.:	AB3C10D12 (2)
Weight, g/mol:	438.098249
ΔH_f, kcal/mol:	-89.53
Dipole, Da:	5.81
IP(EA), eV:	-8.97(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)OCC(=O)N2[C@H](COC3=CC=CC=C32)C4=CC=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations