Geometry & MOs

Info

ID:	330838
PubChem CID:	127248245
Reduced:	SO2N3C26H31 (1)
Stoich.:	AB2C3D26E31 (1)
Weight, g/mol:	441.219846
ΔH_f, kcal/mol:	-25.84
Dipole, Da:	5.65
IP(EA), eV:	-8.68(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-(2-methoxyethyl)thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=C(C2=C(S1)N=CC=C2)C3CCN(C3)CC4=CC=C(C=C4)OC5CCCC5

DOS

IR

Vibrations