Geometry & MOs

Info

ID:	156404
PubChem CID:	56370480
Reduced:	SO2N4C28H36 (1)
Stoich.:	AB2C4D28E36 (1)
Weight, g/mol:	414.169191
ΔH_f, kcal/mol:	-54.98
Dipole, Da:	7.06
IP(EA), eV:	-8.47(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(2,3-dihydro-1H-inden-5-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S)CCCC4=CC=CC=C4

DOS

IR

Vibrations