Geometry & MOs

Info

ID:	45663
PubChem CID:	10516208
Reduced:	O4C15H26 (1)
Stoich.:	A4B15C26 (1)
Weight, g/mol:	270.107836
ΔH_f, kcal/mol:	-202.01
Dipole, Da:	2.77
IP(EA), eV:	-10.04(1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-1-benzylsulfanyl-3-methoxyprop-1-en-2-yl]benzene

Drug info:

PubChemData

Smile

C[C@@]1([C@H]2CC(C[C@H]2[C@@H]([C@]3([C@@]1(C3)CO)CO)O)(C)C)O

DOS

IR

Vibrations