Geometry & MOs

Info

ID:	222290
PubChem CID:	85296304
Reduced:	O3C20H34 (1)
Stoich.:	A3B20C34 (1)
Weight, g/mol:	321.983335
ΔH_f, kcal/mol:	-187.35
Dipole, Da:	3.25
IP(EA), eV:	-9.6(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 1,3-dichloro-4,5,6,7-tetrahydro-2-benzothiophene-5,6-dicarboxylate

Drug info:

PubChemData

Smile

CC1CCC2C(C(CCC2(C13CCC(O3)(C)CC=O)C)O)(C)C

DOS

IR

Vibrations