Geometry & MOs

Info

ID:	195104
PubChem CID:	78635755
Reduced:	FNSO4C21H22 (1)
Stoich.:	ABCD4E21F22 (1)
Weight, g/mol:	377.07555
ΔH_f, kcal/mol:	-186.64
Dipole, Da:	3.06
IP(EA), eV:	-8.99(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)C3=C(C=C(C=C3)NC(=O)C)F

DOS

IR

Vibrations