Geometry & MOs

Info

ID:	397591
PubChem CID:	135030432
Reduced:	SN3O5C28H37 (1)
Stoich.:	AB3C5D28E37 (1)
Weight, g/mol:	494.04126
ΔH_f, kcal/mol:	-201.17
Dipole, Da:	4.93
IP(EA), eV:	-8.51(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl-(2,4,6-trimethylphenyl)-lambda3-iodanyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCC(=O)N1C(C2(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)C4=C1C=CC(=C4)OC)C(=O)NC(C)(C)C

DOS

IR

Vibrations