Geometry & MOs

Info

ID:	331006
PubChem CID:	127248413
Reduced:	SN3O4C23H23 (1)
Stoich.:	AB3C4D23E23 (1)
Weight, g/mol:	449.119147
ΔH_f, kcal/mol:	-58.04
Dipole, Da:	4.4
IP(EA), eV:	-8.74(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=C(C2=C(S1)N=CC=C2)C3CN(CCO3)CC4=CC5=C(O4)C(=CC=C5)OC

DOS

IR

Vibrations