Geometry & MOs

Info

ID:

328478

PubChem CID:

126723197

Reduced:

SO2N7C20H25 (1)

Stoich.:

AB2C7D20E25 (1)

Weight, g/mol:

429.171336

ΔHf, kcal/mol:

98.15

Dipole, Da:

0.88

IP(EA), eV:

 -7.01(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-fluoro-1-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-6-methylidenespiro[5H-pyrrolo[2,3-e][1,2,4]triazine-7,1'-cyclopropane]

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)C(=NN2COCCS(C)(C)C)C3=NC4=C(C5(CC5)C(=O)N4)N=N3

DOS

IR

Vibrations