Geometry & MOs

Info

ID:	149993
PubChem CID:	53789676
Reduced:	SO2N5C10H13 (1)
Stoich.:	AB2C5D10E13 (1)
Weight, g/mol:	212.141244
ΔH_f, kcal/mol:	-0.25
Dipole, Da:	4.37
IP(EA), eV:	-8.81(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-oxododec-6-enoic acid

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)SC2=NC(=CC(=N2)OC)OC)N

DOS

IR

Vibrations