Geometry & MOs

Info

ID:

16857

PubChem CID:

477765

Reduced:

NS3O5C31H37 (1)

Stoich.:

AB3C5D31E37 (1)

Weight, g/mol:

599.183387

ΔHf, kcal/mol:

-159.29

Dipole, Da:

6.6

IP(EA), eV:

 -7.98(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-tert-butyl-4-[[6-hydroxy-4-oxo-2-(2-phenylethyl)-2-propan-2-yl-3H-pyran-5-yl]sulfanyl]-2-methylphenyl]thiophene-2-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1NS(=O)(=O)C2=CC=CS2)C(C)(C)C)SC3=C(OC(CC3=O)(CCC4=CC=CC=C4)C(C)C)O

DOS

IR

Vibrations