Geometry & MOs

Info

ID:	57545
PubChem CID:	22405498
Reduced:	SF3N3O7H22C25 (1)
Stoich.:	AB3C3D7E22F25 (1)
Weight, g/mol:	309.067094
ΔH_f, kcal/mol:	-296.18
Dipole, Da:	13.79
IP(EA), eV:	-10.0(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethoxyethyl)-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)C(F)(F)F)NC(=O)CN1C(=CC=C(C1=O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

DOS

IR

Vibrations