Geometry & MOs

Info

ID:	361797
PubChem CID:	127304644
Reduced:	SN3O3C14H17 (1)
Stoich.:	AB3C3D14E17 (1)
Weight, g/mol:	322.109962
ΔH_f, kcal/mol:	-76.7
Dipole, Da:	5.53
IP(EA), eV:	-9.25(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)N3CCCS(=O)(=O)CC3)NN=C2

DOS

IR

Vibrations