Geometry & MOs

Info

ID:	237413
PubChem CID:	92719112
Reduced:	SO2N5H27C28 (1)
Stoich.:	AB2C5D27E28 (1)
Weight, g/mol:	391.116821
ΔH_f, kcal/mol:	38.5
Dipole, Da:	5.17
IP(EA), eV:	-9.07(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate

Drug info:

PubChemData

Smile

CCC[C@@H](C1=CC=CC=C1)NC(=O)CSC2=NN=C3N2C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

DOS

IR

Vibrations