Geometry & MOs

Info

ID:

17384

PubChem CID:

494986

Reduced:

N6O6H22C33 (1)

Stoich.:

A6B6C22D33 (1)

Weight, g/mol:

598.160082

ΔHf, kcal/mol:

59.66

Dipole, Da:

2.95

IP(EA), eV:

 -9.38(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[[4-(4,6-dioxo-3-pyridin-4-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl)phenyl]methyl]phenyl]-3-pyridin-4-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC2=CC=C(C=C2)N3C(=O)C4C(C3=O)ON=C4C5=CC=NC=C5)N6C(=O)C7C(C6=O)ON=C7C8=CC=NC=C8

DOS

IR

Vibrations