Geometry & MOs

Info

ID:

186849

PubChem CID:

77493740

Reduced:

N5O11C37H45 (1)

Stoich.:

A5B11C37D45 (1)

Weight, g/mol:

370.112464

ΔHf, kcal/mol:

-431.04

Dipole, Da:

10.24

IP(EA), eV:

 -9.33(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopentan-3-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC(C1C(=O)N(CCO1)C2=CC=CC(=C2)C(=O)N3CCOCC3)C(=O)NC4=CC(=C(C=C4)C#N)CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations