Geometry & MOs

Info

ID:

392304

PubChem CID:

135014370

Reduced:

N3O7C22H25 (1)

Stoich.:

A3B7C22D25 (1)

Weight, g/mol:

459.164165

ΔHf, kcal/mol:

-227.73

Dipole, Da:

4.35

IP(EA), eV:

 -9.74(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-benzoyloxy-6-(hydroxymethyl)-8-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC=C)C1=NC(=O)C(=C(N1)C(=O)OC)OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations