Geometry & MOs

Info

ID:	229453
PubChem CID:	87567700
Reduced:	ClFN3O4H23C27 (1)
Stoich.:	ABC3D4E23F27 (1)
Weight, g/mol:	301.095023
ΔH_f, kcal/mol:	-88.02
Dipole, Da:	6.18
IP(EA), eV:	-9.61(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1Z)-1-(2-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]amino]-2-(2-hydroxyphenyl)acetic acid

Drug info:

PubChemData

Smile

C1CC1NC(=O)/C(=C\C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=O)NO)/C4=C(C=C(C=C4)F)Cl

DOS

IR

Vibrations