Geometry & MOs

Info

ID:	180545
PubChem CID:	76651351
Reduced:	FN2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	476.138365
ΔH_f, kcal/mol:	-34.31
Dipole, Da:	2.61
IP(EA), eV:	-8.98(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3-hydroxyimino-2-oxoindol-6-yl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)F)C(=NO)C2=O

DOS

IR

Vibrations