Geometry & MOs

Info

ID:

47155

PubChem CID:

10530015

Reduced:

N3O7C27H43 (1)

Stoich.:

A3B7C27D43 (1)

Weight, g/mol:

521.123169

ΔHf, kcal/mol:

-340.62

Dipole, Da:

8.04

IP(EA), eV:

 -9.49(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(4-methoxyphenyl)-11-(4-methylphenyl)-4-methylsulfanyl-13-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CCCN1C(=O)CC2(C1=O)CC(=NO2)CCCC3CCN(CC3)C(=O)OC(C)(C)C

DOS

IR

Vibrations