Geometry & MOs

Info

ID:	330899
PubChem CID:	127248306
Reduced:	SO2N4C22H30 (1)
Stoich.:	AB2C4D22E30 (1)
Weight, g/mol:	353.131031
ΔH_f, kcal/mol:	-60.97
Dipole, Da:	7.84
IP(EA), eV:	-8.91(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]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)CC(=O)NC4CCCCC4

DOS

IR

Vibrations