Geometry & MOs

Info

ID:

123106

PubChem CID:

50833221

Reduced:

FO3N5H22C27 (1)

Stoich.:

AB3C5D22E27 (1)

Weight, g/mol:

468.125612

ΔHf, kcal/mol:

-18.62

Dipole, Da:

9.35

IP(EA), eV:

 -9.1(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-acetylphenyl)-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

CCC1=CC=CC=C1NC(=O)CN2C=C(C(=O)C3=C2N=C(C=C3)C)C4=NC(=NO4)C5=CC=C(C=C5)F

DOS

IR

Vibrations