Geometry & MOs

Info

ID:	330938
PubChem CID:	127248345
Reduced:	SO2N5C19H23 (1)
Stoich.:	AB2C5D19E23 (1)
Weight, g/mol:	399.172896
ΔH_f, kcal/mol:	-3.37
Dipole, Da:	1.84
IP(EA), eV:	-9.26(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-methyl-3-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CN2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCO

DOS

IR

Vibrations