Geometry & MOs

Info

ID:	195103
PubChem CID:	78635754
Reduced:	NO3H10C11 (2)
Stoich.:	AB3C10D11 (2)
Weight, g/mol:	403.125358
ΔH_f, kcal/mol:	-157.6
Dipole, Da:	6.4
IP(EA), eV:	-8.65(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CC=C2)C(=O)OCC(=O)NCC3COC4=CC=CC=C4O3

DOS

IR

Vibrations