Geometry & MOs

Info

ID:	122588
PubChem CID:	50813567
Reduced:	SN3O3H17C19 (1)
Stoich.:	AB3C3D17E19 (1)
Weight, g/mol:	361.142641
ΔH_f, kcal/mol:	-64.24
Dipole, Da:	7.76
IP(EA), eV:	-8.39(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)C2=C(C3=C(N2)NC(=O)NC3=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations