Geometry & MOs

Info

ID:

444089

PubChem CID:

135261302

Reduced:

FON7H24C29 (1)

Stoich.:

ABC7D24E29 (1)

Weight, g/mol:

610.191086

ΔHf, kcal/mol:

102.67

Dipole, Da:

8.7

IP(EA), eV:

 -8.59(-2.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-[3-[amino(methylsulfonyl)methyl]-5-fluorophenyl]pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]cyclobutanecarboxamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C/4\C=C5C(=N4)C=CN=C5C6=CC=CC=C6F)/NN3

DOS

IR

Vibrations