Geometry & MOs

Info

ID:

434571

PubChem CID:

135175244

Reduced:

BrSF2N3O4C30H34 (1)

Stoich.:

ABC2D3E4F30G34 (1)

Weight, g/mol:

765.407464

ΔHf, kcal/mol:

-213.3

Dipole, Da:

10.26

IP(EA), eV:

 -8.95(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-formyl-4-[5-[4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-1,3-dioxoisoindol-2-yl]pentanamide

Drug info:

PubChemData

Smile

CC(C)OC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)N(C)C(C(=O)N3C4CCC3CC(C4)N)C(C5=CC=C(C=C5)Br)(F)F

DOS

IR

Vibrations