Geometry & MOs

Info

ID:	163475
PubChem CID:	58000038
Reduced:	FN3O3H18C21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	500.152969
ΔH_f, kcal/mol:	-101.94
Dipole, Da:	5.78
IP(EA), eV:	-9.22(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-5-[methyl(methylsulfonyl)amino]-8-oxo-6H-pyrrolo[3,4-g]quinolin-7-yl]-N,N-dimethylacetamide

Drug info:

PubChemData

Smile

CNC(=O)C1=C2C=C(C=NC2=C(C3=C1CN(C3=O)C)O)CC4=CC=C(C=C4)F

DOS

IR

Vibrations