Geometry & MOs

Info

ID:	425333
PubChem CID:	135125955
Reduced:	N4C21H32 (1)
Stoich.:	A4B21C32 (1)
Weight, g/mol:	186.017307
ΔH_f, kcal/mol:	37.14
Dipole, Da:	2.43
IP(EA), eV:	-8.86(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-bis(sulfanylmethyl)phenol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCN[C@@H](CC2=CC=CC=C2)CN[C@@H](CCN)CN

DOS

IR

Vibrations