Geometry & MOs

Info

ID:	408386
PubChem CID:	135081152
Reduced:	OC4H4 (3)
Stoich.:	AB4C4 (3)
Weight, g/mol:	244.07693
ΔH_f, kcal/mol:	-92.83
Dipole, Da:	3.85
IP(EA), eV:	-9.26(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (3R,5R)-5-methyl-2,3,4,5-tetrahydrothiepine-3,7-dicarboxylate

Drug info:

PubChemData

Smile

C1[C@@H](COC1O)C2=CC3=CC=CC=C3O2

DOS

IR

Vibrations