Geometry & MOs

Info

ID:	167408
PubChem CID:	74822079
Reduced:	ClFSO2N3H15C21 (1)
Stoich.:	ABCD2E3F15G21 (1)
Weight, g/mol:	422.139033
ΔH_f, kcal/mol:	2.18
Dipole, Da:	7.0
IP(EA), eV:	-9.77(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]methyl]-1,2,4-oxadiazolidin-5-one

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)N(CC2=CC(=O)N=C3C2C=CC=C3F)C4=CC=CC=C4Cl

DOS

IR

Vibrations