Geometry & MOs

Info

ID:

227400

PubChem CID:

87561672

Reduced:

N3O4F6C29H29 (1)

Stoich.:

A3B4C6D29E29 (1)

Weight, g/mol:

811.27643

ΔHf, kcal/mol:

-466.39

Dipole, Da:

6.86

IP(EA), eV:

 -8.9(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-tert-butyl-N-[1-[2-[[5-(morpholine-4-carbonyl)pyridin-2-yl]amino]furo[3,2-d]pyrimidin-4-yl]piperidin-3-yl]benzamide;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC1(CCC2=C(C1)C3=C(N2)C(=CC=C3)C(F)(F)F)C(=O)O)NC(=O)CC4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations