Geometry & MOs

Info

ID:

435935

PubChem CID:

135192891

Reduced:

SCl2O3N4C38H50 (1)

Stoich.:

AB2C3D4E38F50 (1)

Weight, g/mol:

459.158978

ΔHf, kcal/mol:

-90.51

Dipole, Da:

5.03

IP(EA), eV:

 -8.59(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(5-methylthiophen-2-yl)-8-(5-propan-2-yltetrazol-1-yl)-N-(pyrazin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C(C)(C)C)C2=N[C@@]([C@@](N2CN3CCN(CC3)CCCS(=O)(=O)C)(C)C4=CC=C(C=C4)Cl)(C)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations