Geometry & MOs

Info

ID:

309870

PubChem CID:

126563469

Reduced:

FO2N7H18C23 (1)

Stoich.:

AB2C7D18E23 (1)

Weight, g/mol:

806.290678

ΔHf, kcal/mol:

21.01

Dipole, Da:

6.0

IP(EA), eV:

 -8.93(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[6-[[4-amino-1-(10-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)pyrrolidin-2-yl]methyl]-5-methyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC2=C(C=CC=N2)C#N)C)NC(=O)C3=CC(=NC4=C3C=CC(=C4)F)C(=O)N

DOS

IR

Vibrations