Geometry & MOs

Info

ID:	27556
PubChem CID:	822117
Reduced:	NSO3H11C12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	271.96842
ΔH_f, kcal/mol:	-86.66
Dipole, Da:	4.47
IP(EA), eV:	-9.28(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,6R,7S)-1-bromo-9,9-dihydroxypentacyclo[4.3.0.02,5.03,8.04,7]nonane-4-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1CS[C@@H]2N1C(=O)C3=CC=CC=C23

DOS

IR

Vibrations