Geometry & MOs

Info

ID:

348279

PubChem CID:

127273344

Reduced:

O3N5C19H23 (1)

Stoich.:

A3B5C19D23 (1)

Weight, g/mol:

384.136845

ΔHf, kcal/mol:

-62.62

Dipole, Da:

3.13

IP(EA), eV:

 -9.1(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-methyl-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)C3CC(=O)N(C3)C4=CC=CC=C4OC

DOS

IR

Vibrations