Geometry & MOs

Info

ID:

441624

PubChem CID:

135237877

Reduced:

FPN5O6C28H31 (1)

Stoich.:

ABC5D6E28F31 (1)

Weight, g/mol:

571.290703

ΔHf, kcal/mol:

-255.66

Dipole, Da:

8.32

IP(EA), eV:

 -8.92(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[5-[[(E)-4-(dimethylamino)but-2-enoyl]amino]pyridin-3-yl]-3-(2-methoxypyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl 2-amino-3-methylpentanoate

Drug info:

PubChemData

Smile

CC(N1C=C(C2=C1N=CC(=C2)C3=CC(=CC(=C3)OC)N(C)C(=O)/C=C/CN(C)C)C4=CC(=NC=C4)F)OP(=O)(O)O

DOS

IR

Vibrations