Geometry & MOs

Info

ID:

186599

PubChem CID:

77451305

Reduced:

O5N8C38H52 (1)

Stoich.:

A5B8C38D52 (1)

Weight, g/mol:

603.195168

ΔHf, kcal/mol:

-165.63

Dipole, Da:

4.45

IP(EA), eV:

 -8.34(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[6-(1,3-benzodioxol-5-yl)-2-(1-phenylethylamino)pyrimidin-4-yl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(N=CN=C1N2CCC(CC2)C3=NC4=C(CCCN4)C=C3)NCC(C(=O)OC(C)(C)C)NC(=O)NC(CC5=CC=CC=C5)C(=O)COC

DOS

IR

Vibrations