Geometry & MOs

Info

ID:	400556
PubChem CID:	135048318
Reduced:	BOC22H35 (1)
Stoich.:	ABC22D35 (1)
Weight, g/mol:	310.142508
ΔH_f, kcal/mol:	-112.1
Dipole, Da:	0.45
IP(EA), eV:	-8.79(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-methyl-4-[4-[(4-methyl-3,6-dihydro-2H-thiopyran-6-yl)methyl]-3,6-dihydro-2H-thiopyran-6-yl]but-2-en-1-ol

Drug info:

PubChemData

Smile

B1(C(C(=C(O1)C)C2=CC=CC=C2)(CCCC)CCCC)CCCC

DOS

IR

Vibrations