Geometry & MOs

Info

ID:	383255
PubChem CID:	134974878
Reduced:	NF3O4H14C16 (1)
Stoich.:	AB3C4D14E16 (1)
Weight, g/mol:	327.054084
ΔH_f, kcal/mol:	-249.88
Dipole, Da:	3.91
IP(EA), eV:	-9.74(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,2E)-5-(1-benzothiophen-2-yl)-6,6,6-trifluoro-2-methoxyiminohex-4-en-3-one

Drug info:

PubChemData

Smile

C/C(=N\OC(=O)C)/C1(C=C(C2=CC=CC=C21)C(F)(F)F)OC(=O)C

DOS

IR

Vibrations