Geometry & MOs

Info

ID:	334403
PubChem CID:	127252955
Reduced:	N6O7C34H38 (1)
Stoich.:	A6B7C34D38 (1)
Weight, g/mol:	470.15902
ΔH_f, kcal/mol:	-129.08
Dipole, Da:	7.82
IP(EA), eV:	-8.22(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCCC(=O)NCCC4=NC(=NO4)C5=CC=CC=N5)OC)OC)OC

DOS

IR

Vibrations