Geometry & MOs

Info

ID:

164375

PubChem CID:

74392050

Reduced:

N4O6C39H42 (1)

Stoich.:

A4B6C39D42 (1)

Weight, g/mol:

510.16447

ΔHf, kcal/mol:

-175.29

Dipole, Da:

4.28

IP(EA), eV:

 -9.01(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-6-(4-methylphenyl)sulfonyl-11-trimethylsilyl-3,6-diazatricyclo[6.3.0.02,5]undec-1(11)-ene-4,10-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC(=C2NC(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)C(=O)C5=CC=CC=C5

DOS

IR

Vibrations