Geometry & MOs

Info

ID:

448389

PubChem CID:

135290588

Reduced:

O5N6C23H32 (1)

Stoich.:

A5B6C23D32 (1)

Weight, g/mol:

473.107709

ΔHf, kcal/mol:

-193.08

Dipole, Da:

9.03

IP(EA), eV:

 -8.82(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9S)-7-(4-chlorophenyl)-4-[2-(5-methoxypyridin-2-yl)ethynyl]-5,9,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C3(NNC(=O)N3C)C4CCC(=O)NC4=O

DOS

IR

Vibrations