Geometry & MOs

Info

ID:	81699
PubChem CID:	49855026
Reduced:	ClFSN3O4H23C24 (1)
Stoich.:	ABCD3E4F23G24 (1)
Weight, g/mol:	563.158991
ΔH_f, kcal/mol:	-129.59
Dipole, Da:	7.09
IP(EA), eV:	-8.43(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetyloxy-2-[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=C(C(=CC=C4)F)Cl

DOS

IR

Vibrations