Geometry & MOs

Info

ID:	127700
PubChem CID:	51012120
Reduced:	NO6C27H29 (1)
Stoich.:	AB6C27D29 (1)
Weight, g/mol:	266.097666
ΔH_f, kcal/mol:	-207.45
Dipole, Da:	5.16
IP(EA), eV:	-9.72(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,6R,7S,11S)-7-hydroxy-11-methoxy-11-(methylsulfanylmethyl)tricyclo[5.3.1.02,6]undeca-4,9-dien-8-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@@H]1[C@@H]2C[C@@H](C[C@@H](C2=O)N1C(=O)OCC3=CC=CC=C3)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations