Geometry & MOs

Info

ID:

437344

PubChem CID:

135225802

Reduced:

SN3O4C25H25 (1)

Stoich.:

AB3C4D25E25 (1)

Weight, g/mol:

483.238273

ΔHf, kcal/mol:

-95.74

Dipole, Da:

4.69

IP(EA), eV:

 -9.4(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(1-bicyclo[1.1.1]pentanyl)-6-[[3-(buta-1,3-dien-2-ylamino)phenyl]methyl]-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[1,2-c]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)C2(CCC3=C(C2=O)C=CC(=N3)NC(=O)CC4=CC=C(C=C4)S(=O)(=O)C)C

DOS

IR

Vibrations