Geometry & MOs

Info

ID:	344207
PubChem CID:	127267383
Reduced:	FSN2O4H17C18 (1)
Stoich.:	ABC2D4E17F18 (1)
Weight, g/mol:	397.045393
ΔH_f, kcal/mol:	-193.72
Dipole, Da:	2.68
IP(EA), eV:	-8.69(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-fluoro-3-methylsulfonylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)O)F

DOS

IR

Vibrations