Geometry & MOs

Info

ID:

422608

PubChem CID:

135118127

Reduced:

N2S2O4C13H20 (1)

Stoich.:

A2B2C4D13E20 (1)

Weight, g/mol:

665.378849

ΔHf, kcal/mol:

-144.71

Dipole, Da:

4.96

IP(EA), eV:

 -9.05(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7S,10R)-4-[(2S)-butan-2-yl]-17-(3-ethoxypropanoyl)-7-[(4-methoxyphenyl)methyl]-10-methyl-3,6,9,12,17-pentazabicyclo[17.2.2]tricosa-1(21),19,22-triene-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CC2=CSC=C2

DOS

IR

Vibrations