Geometry & MOs

Info

ID:

415162

PubChem CID:

135088153

Reduced:

N7O7C37H45 (1)

Stoich.:

A7B7C37D45 (1)

Weight, g/mol:

356.151826

ΔHf, kcal/mol:

-208.93

Dipole, Da:

12.78

IP(EA), eV:

 -9.03(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide

Drug info:

PubChemData

Smile

COCCC(=O)N1C[C@H]2[C@H](C1)NC(=O)[C@@H](NC(=O)CN(C(=O)[C@@H](NC(=O)COC3=CC=CC2=C3)CC4=CN=CN4)CC5CC5)CC6=CC=CC=C6

DOS

IR

Vibrations