Geometry & MOs

Info

ID:

328883

PubChem CID:

126728702

Reduced:

SN3O4H23C28 (1)

Stoich.:

AB3C4D23E28 (1)

Weight, g/mol:

497.167726

ΔHf, kcal/mol:

-8.73

Dipole, Da:

5.72

IP(EA), eV:

 -9.19(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-(3-chloro-2,5-dioxopyrrolidin-1-yl)propanoylamino]-N-[3-[(3-hydroxy-1,6-dimethyl-4-oxopyridin-2-yl)methylamino]-3-oxopropyl]propanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=NC=C1)C2=CC(=CC(=N2)C3=NC=CC(=C3)C#CC4=CC=C(S4)C)C(=O)OCC

DOS

IR

Vibrations