Geometry & MOs

Info

ID:	228681
PubChem CID:	87565534
Reduced:	OS2C16H20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	290.079908
ΔH_f, kcal/mol:	-7.26
Dipole, Da:	4.36
IP(EA), eV:	-8.68(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methoxyphenyl)methylsulfanyl]-2-phenylethanethiol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CS.C1=CC=C(C=C1)CCS

DOS

IR

Vibrations