Geometry & MOs

Info

ID:	385856
PubChem CID:	134980155
Reduced:	ClSO2C15H17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	210.125594
ΔH_f, kcal/mol:	-70.93
Dipole, Da:	2.74
IP(EA), eV:	-8.5(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,2R,4S)-2-(1-hydroxypropyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1CCC(=C(C1)OC)SC2=CC=C(C=C2)Cl

DOS

IR

Vibrations