Geometry & MOs

Info

ID:	397150
PubChem CID:	135029808
Reduced:	NS2O3H15C16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	150.104465
ΔH_f, kcal/mol:	-43.61
Dipole, Da:	6.44
IP(EA), eV:	-8.48(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-4a,5,6,7,8,8a-hexahydronaphthalen-2-ol

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)C(=O)C(=O)N=S(=O)(C)C2=CC=CC=C2

DOS

IR

Vibrations