Geometry & MOs

Info

ID:

313569

PubChem CID:

126615923

Reduced:

NO4C14H17 (2)

Stoich.:

AB4C14D17 (2)

Weight, g/mol:

763.296576

ΔHf, kcal/mol:

-277.87

Dipole, Da:

6.64

IP(EA), eV:

 -9.35(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-4-[4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]carbamoyl]piperazin-1-yl]methyl]phenyl]-N-ethyl-5-(4-hydroxy-6-oxo-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)-2H-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](NC1)C(=O)O.C1CC1C2=CC=C(C=C2)CC3=C(C=CC(=C3)[C@]4([C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C#N

DOS

IR

Vibrations