Geometry & MOs

Info

ID:

433725

PubChem CID:

135173865

Reduced:

FSN4O4C25H28 (2)

Stoich.:

ABC4D4E25F28 (2)

Weight, g/mol:

698.248897

ΔHf, kcal/mol:

-333.29

Dipole, Da:

7.25

IP(EA), eV:

 -8.7(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,6-dioxopiperidin-3-yl)-N-formyl-5-[2-[3-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethoxy]-2-methylbenzamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2CNC3=C2C=C(C=N3)C4=CC=C(C=C4)NC(=O)CCCC(=O)N[C@H](C(=O)N5C[C@@H](C[C@H]5C(=O)NCC6=CC=C(C=C6)C7=C(N=CS7)C)O)C(C)(C)C)F

DOS

IR

Vibrations