Geometry & MOs

Info

ID:	129629
PubChem CID:	51073367
Reduced:	ClN2O2F3H10C12 (1)
Stoich.:	AB2C2D3E10F12 (1)
Weight, g/mol:	316.124549
ΔH_f, kcal/mol:	-202.69
Dipole, Da:	5.02
IP(EA), eV:	-9.76(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC(F)(F)F)OC1=C(C=C(C=C1)C#N)Cl

DOS

IR

Vibrations