Geometry & MOs

Info

ID:	344208
PubChem CID:	127267384
Reduced:	FNS2O5H16C17 (1)
Stoich.:	ABC2D5E16F17 (1)
Weight, g/mol:	344.063092
ΔH_f, kcal/mol:	-223.23
Dipole, Da:	2.2
IP(EA), eV:	-8.94(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations