Geometry & MOs

Info

ID:	330937
PubChem CID:	127248344
Reduced:	SO3N4C24H24 (1)
Stoich.:	AB3C4D24E24 (1)
Weight, g/mol:	385.157246
ΔH_f, kcal/mol:	-55.04
Dipole, Da:	5.58
IP(EA), eV:	-9.08(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)C1=C(C2=C(S1)N=CC=C2)C3CCN(C3)C(=O)CCN4CC5=CC=CC=C5C4=O

DOS

IR

Vibrations