Geometry & MOs

Info

ID:	330890
PubChem CID:	127248297
Reduced:	SO2N4C22H30 (1)
Stoich.:	AB2C4D22E30 (1)
Weight, g/mol:	339.115381
ΔH_f, kcal/mol:	-57.83
Dipole, Da:	4.6
IP(EA), eV:	-9.08(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-(1-pyrimidin-2-ylpyrrolidin-3-yl)thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)CCNC(=O)C1=C(C2=C(S1)N=CC=C2)C3CCN(C3)C(=O)C4CCCC4

DOS

IR

Vibrations