Geometry & MOs

Info

ID:	397218
PubChem CID:	135029903
Reduced:	O8H14C21 (1)
Stoich.:	A8B14C21 (1)
Weight, g/mol:	249.028206
ΔH_f, kcal/mol:	-257.94
Dipole, Da:	3.03
IP(EA), eV:	-8.83(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

imino-oxo-phenyl-[(E)-2-thiophen-2-ylethenyl]-lambda6-sulfane

Drug info:

PubChemData

Smile

C1=C2C=C(C3=C(C2=C(C=C1O)O)OC4C(=C3)C(=O)C5=C(C=C(C=C5O4)O)O)CO

DOS

IR

Vibrations