Geometry & MOs

Info

ID:

268024

PubChem CID:

103596761

Reduced:

Cl2N2O2S2H22C25 (1)

Stoich.:

A2B2C2D2E22F25 (1)

Weight, g/mol:

540.058042

ΔHf, kcal/mol:

-38.59

Dipole, Da:

3.89

IP(EA), eV:

 -8.93(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9S)-14-(4-chlorophenyl)-9-(4-hydroxy-3-methoxyphenyl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.02,10.04,8.012,16]heptadec-4(8)-ene-6,13,15-trione

Drug info:

PubChemData

Smile

C1CC2CC1C3C2SC4=C([C@@H]3C5=CC=C(C=C5)Cl)SC(=O)N4CC(=O)NC6=CC=C(C=C6)Cl

DOS

IR

Vibrations