Geometry & MOs

Info

ID:	383354
PubChem CID:	134975028
Reduced:	C17H24 (1)
Stoich.:	A17B24 (1)
Weight, g/mol:	450.117081
ΔH_f, kcal/mol:	-16.18
Dipole, Da:	0.24
IP(EA), eV:	-8.06(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[[4-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]phenyl]disulfanyl]phenyl]-2-(hydroxymethyl)oxolan-3-ol

Drug info:

PubChemData

Smile

CCC1=C(C2=C(C(=C(C(=C2C1)C)C)C)C)CC

DOS

IR

Vibrations