Geometry & MOs

Info

ID:

447020

PubChem CID:

135279585

Reduced:

N4O16C47H70 (1)

Stoich.:

A4B16C47D70 (1)

Weight, g/mol:

571.213201

ΔHf, kcal/mol:

-763.95

Dipole, Da:

3.01

IP(EA), eV:

 -8.61(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[5-[(3Z)-3-[4-(3-fluoro-5-methoxyphenyl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]amino]-2-phenylethanol

Drug info:

PubChemData

Smile

CCOC(C(C(=O)NC1=C(C=CC(=C1)NC(=O)OC(C)CC(C)(C)OC(C)CC(C)(C)OC(C)COC(=O)NC2=CC(=C(C=C2)C)NC(=O)C(C(=O)OCC)C(=O)OCC)C)C(=O)OCC)O

DOS

IR

Vibrations