Geometry & MOs

Info

ID:	163474
PubChem CID:	57999817
Reduced:	FSO3N4C18H25 (1)
Stoich.:	ABC3D4E18F25 (1)
Weight, g/mol:	379.13322
ΔH_f, kcal/mol:	-118.73
Dipole, Da:	1.43
IP(EA), eV:	-8.59(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-fluorophenyl)methyl]-9-hydroxy-N,7-dimethyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CN(CCCN1S(C2=CC=CC3=CN=CC(=C32)F)(O)O)C(=O)[C@@H](C)N

DOS

IR

Vibrations