Geometry & MOs

Info

ID:	324442
PubChem CID:	126677679
Reduced:	ClN2O8C30H33 (1)
Stoich.:	AB2C8D30E33 (1)
Weight, g/mol:	454.129549
ΔH_f, kcal/mol:	-331.47
Dipole, Da:	4.31
IP(EA), eV:	-8.91(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxopentyl 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCC(COC(=O)C(CC1=CC(=O)NC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)Cl)OC(=O)CCC

DOS

IR

Vibrations