Geometry & MOs

Info

ID:	157977
PubChem CID:	56459366
Reduced:	F2N2O4C23H28 (1)
Stoich.:	A2B2C4D23E28 (1)
Weight, g/mol:	388.96968
ΔH_f, kcal/mol:	-225.98
Dipole, Da:	5.45
IP(EA), eV:	-8.95(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(5-bromothiophen-2-yl)methyl]-4,4,4-trifluoro-3-phenylbut-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)CN(C)C(=O)C2=CC=CC(=C2)CN3CCOCC3)OC(F)F

DOS

IR

Vibrations