Geometry & MOs

Info

ID:	333968
PubChem CID:	127252520
Reduced:	N2O5C17H18 (1)
Stoich.:	A2B5C17D18 (1)
Weight, g/mol:	530.180149
ΔH_f, kcal/mol:	-148.95
Dipole, Da:	5.33
IP(EA), eV:	-8.62(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethoxy-5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)-N-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]propanamide

Drug info:

PubChemData

Smile

COC1=CNC(=CC1=O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations