Geometry & MOs

Info

ID:	221909
PubChem CID:	85292654
Reduced:	SN2O7C16H16 (1)
Stoich.:	AB2C7D16E16 (1)
Weight, g/mol:	380.137222
ΔH_f, kcal/mol:	-74.47
Dipole, Da:	7.11
IP(EA), eV:	-9.64(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3,4-dibenzyl-2,5,6-trioxopiperazin-1-yl)acetate

Drug info:

PubChemData

Smile

CC(C)CS(=O)(=O)C1=CC(=CC(=C1C=CC2=CC=CO2)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations