Geometry & MOs

Info

ID:	344209
PubChem CID:	127267385
Reduced:	FSN2O3H13C17 (1)
Stoich.:	ABC2D3E13F17 (1)
Weight, g/mol:	411.069592
ΔH_f, kcal/mol:	-103.05
Dipole, Da:	3.0
IP(EA), eV:	-9.47(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=C(C=C3)F)C#N)C(=O)O

DOS

IR

Vibrations