Geometry & MOs

Info

ID:	431246
PubChem CID:	135171317
Reduced:	ClSO2C10H13 (1)
Stoich.:	ABC2D10E13 (1)
Weight, g/mol:	211.0667
ΔH_f, kcal/mol:	-87.82
Dipole, Da:	3.89
IP(EA), eV:	-8.74(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1,5,6,7-tetrahydrothiopyrano[3,2-b]pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C1=C(CCCS1)Cl

DOS

IR

Vibrations