Geometry & MOs

Info

ID:

49817

PubChem CID:

11533895

Reduced:

SO4N5H17C21 (1)

Stoich.:

AB4C5D17E21 (1)

Weight, g/mol:

535.209866

ΔHf, kcal/mol:

-22.27

Dipole, Da:

8.04

IP(EA), eV:

 -9.32(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-1-[4-[[5-chloro-4-[(2-methyl-3-oxo-1H-isoindol-4-yl)amino]pyrimidin-2-yl]amino]-3-methoxyphenyl]-3-methylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC=C(C2=O)/C=N/C3=NC=CC(=N3)NC4=CC=C(C=C4)S(=O)(=O)N

DOS

IR

Vibrations