Geometry & MOs

Info

ID:	330976
PubChem CID:	127248383
Reduced:	SN3O3C24H29 (1)
Stoich.:	AB3C3D24E29 (1)
Weight, g/mol:	449.119147
ΔH_f, kcal/mol:	-64.01
Dipole, Da:	8.29
IP(EA), eV:	-8.79(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(1,5-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(C2=C(S1)N=CC=C2)C3CN(CCO3)CCOCC4=CC=CC=C4

DOS

IR

Vibrations