Geometry & MOs

Info

ID:	334418
PubChem CID:	127252970
Reduced:	N4O5C28H28 (1)
Stoich.:	A4B5C28D28 (1)
Weight, g/mol:	381.096085
ΔH_f, kcal/mol:	-21.74
Dipole, Da:	4.76
IP(EA), eV:	-9.13(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-6-(4-methoxyphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1[C@H]([C@@H]2C3CC(CN2C4=C1C=C(C=C4)[N+](=O)[O-])C5=CC=CC(=O)N5C3)C(=O)NCCC6=CC=C(C=C6)O

DOS

IR

Vibrations