Geometry & MOs

Info

ID:	176294
PubChem CID:	76028352
Reduced:	ON2C9H14 (3)
Stoich.:	AB2C9D14 (3)
Weight, g/mol:	440.064234
ΔH_f, kcal/mol:	-101.79
Dipole, Da:	5.87
IP(EA), eV:	-8.38(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-difluoro-4-methylphenyl)-2-[(2-oxo-3H-quinoline-3-carbonyl)amino]thiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1C(=C(ON1)C)C2CCC3C(N2)N4C5CCCCC5N(C4=C(C3=O)C(=O)NCCN6CCCC6)C

DOS

IR

Vibrations