Geometry & MOs

Info

ID:	237243
PubChem CID:	92717994
Reduced:	SCl2N2O5H18C22 (1)
Stoich.:	AB2C2D5E18F22 (1)
Weight, g/mol:	472.149518
ΔH_f, kcal/mol:	-138.7
Dipole, Da:	2.39
IP(EA), eV:	-9.51(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-[(3R)-5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H](C2=CC=C(C=C2)Cl)NC(=O)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N

DOS

IR

Vibrations