Geometry & MOs

Info

ID:	28231
PubChem CID:	826418
Reduced:	ClSO2H11C14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	292.032479
ΔH_f, kcal/mol:	-49.69
Dipole, Da:	5.42
IP(EA), eV:	-8.93(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-3-chloro-2-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SC2=C(C=C(C=C2)Cl)CC(=O)O

DOS

IR

Vibrations