Geometry & MOs

Info

ID:	158452
PubChem CID:	56463672
Reduced:	FSN3O5H18C21 (1)
Stoich.:	ABC3D5E18F21 (1)
Weight, g/mol:	425.078052
ΔH_f, kcal/mol:	-176.01
Dipole, Da:	4.01
IP(EA), eV:	-9.14(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(carboxymethoxy)-3-methylphenyl]sulfonylamino]-3,5-dimethoxybenzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=C(C=CC(=C2)F)NC(=O)C3=CC=CC=N3)C(=O)O

DOS

IR

Vibrations