Geometry & MOs

Info

ID:

123108

PubChem CID:

50833322

Reduced:

O4N5H23C27 (1)

Stoich.:

A4B5C23D27 (1)

Weight, g/mol:

470.141262

ΔHf, kcal/mol:

-11.04

Dipole, Da:

6.5

IP(EA), eV:

 -8.96(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4-methoxyphenyl)methyl]-2-(4-methyl-6-oxo-11-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NOC(=N2)C3=CN(C4=C(C3=O)C=CC(=N4)C)CC(=O)NC5=CC(=CC=C5)OC

DOS

IR

Vibrations