Geometry & MOs

Info

ID:	386644
PubChem CID:	134982425
Reduced:	NOC26H29 (1)
Stoich.:	ABC26D29 (1)
Weight, g/mol:	390.168493
ΔH_f, kcal/mol:	29.72
Dipole, Da:	1.41
IP(EA), eV:	-9.0(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aS)-6a-(benzenesulfonyl)-4-prop-2-enyl-5-(trimethylsilylmethyl)-1,2,3,6-tetrahydropentalen-3a-ol

Drug info:

PubChemData

Smile

C[C@@]1(C=CC=C[C@H]1C(C)(C)C)C2=N[C@@H]([C@H](O2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations