Geometry & MOs

Info

ID:	419104
PubChem CID:	135107518
Reduced:	NOC10H12 (2)
Stoich.:	ABC10D12 (2)
Weight, g/mol:	355.108959
ΔH_f, kcal/mol:	-53.4
Dipole, Da:	3.9
IP(EA), eV:	-9.76(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-5-[[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CC=C1)C(=O)N[C@@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations