Geometry & MOs

Info

ID:

448214

PubChem CID:

135289299

Reduced:

FN4O12C29H39 (1)

Stoich.:

AB4C12D29E39 (1)

Weight, g/mol:

569.200923

ΔHf, kcal/mol:

-575.18

Dipole, Da:

5.56

IP(EA), eV:

 -9.9(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[3-[(2Z)-2-[5-[5-[(dimethylamino)methyl]pyridin-3-yl]-1,2-dihydroindazol-3-ylidene]pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenyl]methyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CC(=O)OC)C(=O)CF)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)OC)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations