Geometry & MOs

Info

ID:	406881
PubChem CID:	135078825
Reduced:	OS2C22H26 (1)
Stoich.:	AB2C22D26 (1)
Weight, g/mol:	384.158158
ΔH_f, kcal/mol:	-5.77
Dipole, Da:	3.96
IP(EA), eV:	-8.39(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-1-(phenylsulfanylmethyl)-2-[(E)-3-phenylsulfanylprop-2-enyl]cycloheptan-1-ol

Drug info:

PubChemData

Smile

C1CC[C@@]([C@H](C1)C/C=C/SC2=CC=CC=C2)(CSC3=CC=CC=C3)O

DOS

IR

Vibrations