Geometry & MOs

Info

ID:	403697
PubChem CID:	135061377
Reduced:	BO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	354.205108
ΔH_f, kcal/mol:	-163.0
Dipole, Da:	4.28
IP(EA), eV:	-9.35(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[heptylsulfanyl(pentylsulfanyl)methyl]-4-methoxybenzene

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3CO3

DOS

IR

Vibrations