Geometry & MOs

Info

ID:	57231
PubChem CID:	22395515
Reduced:	O3S3C44H72 (1)
Stoich.:	A3B3C44D72 (1)
Weight, g/mol:	294.219495
ΔH_f, kcal/mol:	-220.46
Dipole, Da:	4.07
IP(EA), eV:	-8.16(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5,6-tris(2-methylpropyl)benzene-1,2,3-triol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCC1=CC2=C(C(=C1CCCCCCCCCCCCCCCC)S(=O)(=O)O)SC3=CC=CC=C3S2

DOS

IR

Vibrations