Geometry & MOs

Info

ID:	389049
PubChem CID:	134990990
Reduced:	NSO4C15H21 (1)
Stoich.:	ABC4D15E21 (1)
Weight, g/mol:	190.02998
ΔH_f, kcal/mol:	-132.1
Dipole, Da:	6.34
IP(EA), eV:	-8.85(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R,6R)-6-hydroxybicyclo[3.2.0]hept-2-ene-6-sulfonic acid

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)N.C1C=C[C@H]2[C@@H]1[C@](C2)(O)S(=O)(=O)O

DOS

IR

Vibrations