Geometry & MOs

Info

ID:	320284
PubChem CID:	126659241
Reduced:	ClO3N4C28H33 (1)
Stoich.:	AB3C4D28E33 (1)
Weight, g/mol:	481.236542
ΔH_f, kcal/mol:	-59.36
Dipole, Da:	2.49
IP(EA), eV:	-8.83(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-[[(1R)-3-[(Z)-3-iminoprop-1-enyl]-2-methylcyclopent-2-en-1-yl]carbamoyl]-2-phenylquinolin-3-yl]pentanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)C2=C(CN(CC2)C(=O)CC34CCC(C3)(CC4)C(=O)ON)NCC5=CC=C(C=C5)Cl

DOS

IR

Vibrations