Geometry & MOs

Info

ID:	330863
PubChem CID:	127248270
Reduced:	SO2N3C23H27 (1)
Stoich.:	AB2C3D23E27 (1)
Weight, g/mol:	409.182398
ΔH_f, kcal/mol:	-21.55
Dipole, Da:	2.23
IP(EA), eV:	-8.85(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCNC(=O)C1=C(C2=C(S1)N=CC=C2)C3CCN(C3)CCC4=CC=CC=C4

DOS

IR

Vibrations