Geometry & MOs

Info

ID:

435670

PubChem CID:

135192121

Reduced:

SF2N2O2C20H22 (1)

Stoich.:

AB2C2D2E20F22 (1)

Weight, g/mol:

543.274659

ΔHf, kcal/mol:

-143.19

Dipole, Da:

4.67

IP(EA), eV:

 -8.28(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[1-[[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2-methyl-3H-pyridin-2-yl]amino]ethenyl]-5-methylidene-1-phenylspiro[6,8-dihydroquinoline-7,1'-cyclopropane]-2-one

Drug info:

PubChemData

Smile

CCCN1C(=O)CCC2=C1C=CC(=C2)NS(=O)CC3=CC(=C(C(=C3)F)C)F

DOS

IR

Vibrations