Geometry & MOs

Info

ID:	151312
PubChem CID:	53801047
Reduced:	OF2C38H52 (1)
Stoich.:	AB2C38D52 (1)
Weight, g/mol:	319.006992
ΔH_f, kcal/mol:	-156.6
Dipole, Da:	3.7
IP(EA), eV:	-8.8(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-chlorothiophen-3-yl)ethynyl]phenyl]-2-methoxyiminoacetic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)CCCCCCCC)F)F

DOS

IR

Vibrations