Geometry & MOs

Info

ID:	37891
PubChem CID:	8025350
Reduced:	NOF3H18C21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	393.104622
ΔH_f, kcal/mol:	-156.41
Dipole, Da:	2.34
IP(EA), eV:	-9.06(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-ethyl-2-[[2-[2-(2-fluorophenyl)acetyl]oxyacetyl]amino]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C1=CC2=CC=CC=C2C=C1)NC(=O)CC3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations