Geometry & MOs

Info

ID:

16501

PubChem CID:

471451

Reduced:

NS2O8C34H41 (1)

Stoich.:

AB2C8D34E41 (1)

Weight, g/mol:

655.22736

ΔHf, kcal/mol:

-299.91

Dipole, Da:

3.56

IP(EA), eV:

 -8.26(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-tert-butyl-4-[[6-hydroxy-2,2-bis[2-(4-hydroxyphenyl)ethyl]-4-oxo-3H-pyran-5-yl]sulfanyl]-2-methylphenyl] N-ethylsulfamate

Drug info:

PubChemData

Smile

CCNS(=O)(=O)OC1=CC(=C(C=C1C)SC2=C(OC(CC2=O)(CCC3=CC=C(C=C3)O)CCC4=CC=C(C=C4)O)O)C(C)(C)C

DOS

IR

Vibrations