Geometry & MOs

Info

ID:

446240

PubChem CID:

135273397

Reduced:

SN4O5C30H46 (1)

Stoich.:

AB4C5D30E46 (1)

Weight, g/mol:

477.207722

ΔHf, kcal/mol:

-165.71

Dipole, Da:

8.13

IP(EA), eV:

 -8.95(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(3Z)-3-[4-(3-fluoro-5-methylphenyl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine

Drug info:

PubChemData

Smile

C[C@H]1CCC/C(=C\C[C@H](OC(=O)C[C@@H](C(C(=O)C([C@H]1O)CCCCN=[N+]=[N-])(C)C)O)/C(=C/C2=CSC(=N2)C)/C)/C

DOS

IR

Vibrations