Geometry & MOs

Info

ID:	393654
PubChem CID:	135021436
Reduced:	ClN2O8C22H23 (1)
Stoich.:	AB2C8D22E23 (1)
Weight, g/mol:	446.088079
ΔH_f, kcal/mol:	-220.87
Dipole, Da:	1.23
IP(EA), eV:	-9.05(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-(4-chlorophenyl)-1-formyl-4-(4-methoxyphenyl)-5-nitro-2-oxopiperidine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C(C(C2=CC=C(C=C2)Cl)NC=O)[N+](=O)[O-])C(C(=O)OC)C(=O)OC

DOS

IR

Vibrations