Geometry & MOs

Info

ID:

433814

PubChem CID:

135173956

Reduced:

S2F3N8O10C54H61 (1)

Stoich.:

A2B3C8D10E54F61 (1)

Weight, g/mol:

664.264548

ΔHf, kcal/mol:

-440.31

Dipole, Da:

4.7

IP(EA), eV:

 -8.67(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2,6-dioxopiperidin-3-yl)-5-[2-[3-[4-[1-[(hydroxyamino)methyl]-2,3-dihydro-1H-inden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethoxy]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)COCCCOCCCOC4=CC=C(C=C4)C5=CC6=C(NC=C6C(=O)C7=C(C=CC(=C7F)NS(=O)(=O)N8CC[C@H](C8)F)F)N=C5)O

DOS

IR

Vibrations