Geometry & MOs

Info

ID:	307077
PubChem CID:	125267507
Reduced:	SN3O4H19C20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	313.106256
ΔH_f, kcal/mol:	-69.5
Dipole, Da:	4.98
IP(EA), eV:	-8.81(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3aR)-3,4-dioxo-2-phenyl-3a,5-dihydropyrazolo[3,4-b]pyridin-6-yl]acetate

Drug info:

PubChemData

Smile

C1C=CO[C@H]1/C=C/2\C(=O)N(C(=O)S2)CC(=O)NCCC3=C4C=CC=CC4=NC3

DOS

IR

Vibrations