Geometry & MOs

Info

ID:

418838

PubChem CID:

135106943

Reduced:

SN2O4C20H26 (1)

Stoich.:

AB2C4D20E26 (1)

Weight, g/mol:

509.227434

ΔHf, kcal/mol:

-136.08

Dipole, Da:

8.58

IP(EA), eV:

 -9.53(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7,20-dimethoxy-9,17,28-trioxa-1,12,13,14,25-pentazapentacyclo[25.3.1.111,14.03,8.018,23]dotriaconta-3(8),4,6,11(32),12,18(23),19,21-octaen-24-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1S(=O)(=O)N[C@@H]2COC[C@H]2CC3=CC=NC=C3)C)C)OC

DOS

IR

Vibrations