Geometry & MOs

Info

ID:	218106
PubChem CID:	85088891
Reduced:	SO6C23H26 (1)
Stoich.:	AB6C23D26 (1)
Weight, g/mol:	430.214409
ΔH_f, kcal/mol:	-163.16
Dipole, Da:	5.56
IP(EA), eV:	-9.51(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-bis(phenylmethoxy)-4-(phenylmethoxymethyl)cyclohex-2-en-1-ol

Drug info:

PubChemData

Smile

COCOCC1C(C2C=C(C1O2)S(=O)(=O)C3=CC=CC=C3)COCC4=CC=CC=C4

DOS

IR

Vibrations