Geometry & MOs

Info

ID:	158809
PubChem CID:	56479333
Reduced:	S2N4O4C17H22 (1)
Stoich.:	A2B4C4D17E22 (1)
Weight, g/mol:	420.125612
ΔH_f, kcal/mol:	-135.78
Dipole, Da:	10.7
IP(EA), eV:	-8.95(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)C)C(=O)NC3CS(=O)(=O)CC3N4CCCC4

DOS

IR

Vibrations