Geometry & MOs

Info

ID:	352962
PubChem CID:	127284053
Reduced:	O2S2N3C18H23 (1)
Stoich.:	A2B2C3D18E23 (1)
Weight, g/mol:	366.136176
ΔH_f, kcal/mol:	-10.91
Dipole, Da:	4.28
IP(EA), eV:	-8.8(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2=CSC(=N2)NC(=O)C3=C(C=CS3)C4CC4

DOS

IR

Vibrations