Geometry & MOs

Info

ID:

444164

PubChem CID:

135261557

Reduced:

SN6H26C29 (1)

Stoich.:

AB6C26D29 (1)

Weight, g/mol:

612.206736

ΔHf, kcal/mol:

188.44

Dipole, Da:

5.85

IP(EA), eV:

 -8.34(-1.78)

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]pentanamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=CC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CN=CC(=C6)CN7CCCC7)/C=C32

DOS

IR

Vibrations