Geometry & MOs

Info

ID:

177311

PubChem CID:

76165346

Reduced:

FSN2O4C25H25 (1)

Stoich.:

ABC2D4E25F25 (1)

Weight, g/mol:

570.285363

ΔHf, kcal/mol:

-117.15

Dipole, Da:

4.73

IP(EA), eV:

 -6.9(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-[(4-fluorophenyl)methyl]-22-hydroxy-6-(2-hydroxycyclopropyl)-3,8,9-trimethyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(18),19,21-triene-7,10,13-trione

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=CC3=C(C=C2)NC(C4C3N(CC4)S(=O)(=O)C5=CC=CC=C5F)CO

DOS

IR

Vibrations