Geometry & MOs

Info

ID:	352964
PubChem CID:	127284055
Reduced:	SN2O4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	366.136176
ΔH_f, kcal/mol:	-157.53
Dipole, Da:	2.32
IP(EA), eV:	-9.24(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1CCS(=O)(=O)C1)C(=O)C(C2=CC=CC=C2)N3CCC(CC3)O

DOS

IR

Vibrations