Geometry & MOs

Info

ID:	32472
PubChem CID:	7837721
Reduced:	N2S2F3O3H9C15 (1)
Stoich.:	A2B2C3D3E9F15 (1)
Weight, g/mol:	386.054813
ΔH_f, kcal/mol:	-184.84
Dipole, Da:	2.12
IP(EA), eV:	-9.18(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl] 3-methylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C(=C3F)F)F

DOS

IR

Vibrations