Geometry & MOs

Info

ID:	388147
PubChem CID:	134988326
Reduced:	OC3H3 (4)
Stoich.:	AB3C3 (4)
Weight, g/mol:	253.040879
ΔH_f, kcal/mol:	-158.04
Dipole, Da:	6.3
IP(EA), eV:	-9.7(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 4-isothiocyanatocyclohexa-1,4-diene-1,2-dicarboxylate

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2[C@H]([C@@H]1C(=O)O)C(=O)O

DOS

IR

Vibrations