Geometry & MOs

Info

ID:	192770
PubChem CID:	78310191
Reduced:	ClSN2O4C25H29 (1)
Stoich.:	ABC2D4E25F29 (1)
Weight, g/mol:	450.179087
ΔH_f, kcal/mol:	-161.51
Dipole, Da:	5.33
IP(EA), eV:	-9.01(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-3,5-dimethoxy-N-[(6-oxo-7H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]benzamide

Drug info:

PubChemData

Smile

C1CCC(C1)N(CC2CC3CC4C(CC3NC2=O)OCO4)C(=O)C5=C(C6=CC=CC=C6S5)Cl

DOS

IR

Vibrations