Geometry & MOs

Info

ID:	122587
PubChem CID:	50813537
Reduced:	FO2N7H22C26 (1)
Stoich.:	AB2C7D22E26 (1)
Weight, g/mol:	367.099063
ΔH_f, kcal/mol:	71.73
Dipole, Da:	11.3
IP(EA), eV:	-9.2(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C(CC(=O)N=C2N(N1)C3=NN4C(=NN=C4C=C3)C)C5=CC=CC=C5OCC6=CC=CC=C6F

DOS

IR

Vibrations