Geometry & MOs

Info

ID:

336112

PubChem CID:

127255119

Reduced:

O3N4H18C26 (1)

Stoich.:

A3B4C18D26 (1)

Weight, g/mol:

438.136176

ΔHf, kcal/mol:

-6.93

Dipole, Da:

2.08

IP(EA), eV:

 -8.76(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-methyl-11-oxo-10-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CC(=O)NC5=CC=CC6=C5N=CC=C6

DOS

IR

Vibrations