Geometry & MOs

Info

ID:	28449
PubChem CID:	827700
Reduced:	ClON2F3H8C13 (1)
Stoich.:	ABC2D3E8F13 (1)
Weight, g/mol:	327.092915
ΔH_f, kcal/mol:	-150.03
Dipole, Da:	0.94
IP(EA), eV:	-9.82(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4,5-dimethyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)NC(=O)C2=CC=NC=C2)C(F)(F)F

DOS

IR

Vibrations