Geometry & MOs

Info

ID:	81511
PubChem CID:	49854810
Reduced:	ClSN4O5C24H25 (1)
Stoich.:	ABC4D5E24F25 (1)
Weight, g/mol:	610.211361
ΔH_f, kcal/mol:	-117.11
Dipole, Da:	4.23
IP(EA), eV:	-8.95(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinolin-1-yl]methyl N-benzylcarbamate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)S(=O)(=O)NC2=NC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4OC

DOS

IR

Vibrations