Geometry & MOs

Info

ID:

442145

PubChem CID:

135250075

Reduced:

S2N4H38C49 (1)

Stoich.:

A2B4C38D49 (1)

Weight, g/mol:

387.180758

ΔHf, kcal/mol:

200.28

Dipole, Da:

3.02

IP(EA), eV:

 -8.52(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methyl-8-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one

Drug info:

PubChemData

Smile

CC1(CSC(=N1)C2=CN=C(C=C2)C3=CC4=C(C=C3)C5=C(C=C4)C6=C(C57C8=CC=CC=C8C9=CC=CC=C79)C=C(C=C6)C1=NC=C(C=C1)C1=NC(CS1)(C)C)C

DOS

IR

Vibrations