Geometry & MOs

Info

ID:

16856

PubChem CID:

477762

Reduced:

NS2F3O5C34H38 (1)

Stoich.:

AB2C3D5E34F38 (1)

Weight, g/mol:

661.21435

ΔHf, kcal/mol:

-326.92

Dipole, Da:

4.59

IP(EA), eV:

 -8.37(-1.38)

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]-4-(trifluoromethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations