Geometry & MOs

Info

ID:

444114

PubChem CID:

135261344

Reduced:

SO2N7H25C28 (1)

Stoich.:

AB2C7D25E28 (1)

Weight, g/mol:

523.213201

ΔHf, kcal/mol:

136.53

Dipole, Da:

10.89

IP(EA), eV:

 -8.62(-2.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[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]oxy-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(S1)C2=NC=CC3=N/C(=C\4/C5=CC(=NC=C5NN4)C6=CC(=CN=C6)OCCN(C)C)/C=C32

DOS

IR

Vibrations