Geometry & MOs

Info

ID:

433748

PubChem CID:

135173889

Reduced:

NH33C42 (1)

Stoich.:

AB33C42 (1)

Weight, g/mol:

791.270145

ΔHf, kcal/mol:

133.16

Dipole, Da:

3.11

IP(EA), eV:

 -8.15(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[4-[3-(3-amino-2,6-difluorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenoxy]butanoylamino]acetyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C4=C(C5=CC=CC=C5C4(C)C)C(=C3)C6=CC=C(C=C6)N7C8=CC=CC=C8C9=CC=CC=C97)C

DOS

IR

Vibrations