Geometry & MOs

Info

ID:	392675
PubChem CID:	135017574
Reduced:	NO2S2C11H17 (1)
Stoich.:	AB2C2D11E17 (1)
Weight, g/mol:	204.151415
ΔH_f, kcal/mol:	-68.49
Dipole, Da:	7.66
IP(EA), eV:	-8.52(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-15-oxabicyclo[10.2.1]pentadeca-1(14),6,12-triene

Drug info:

PubChemData

Smile

CC(C)[C@H]1CN(C(=S)S1)C(=O)C[C@@H](C=C)O

DOS

IR

Vibrations