Geometry & MOs

Info

ID:	330835
PubChem CID:	127248242
Reduced:	SO2N4C24H26 (1)
Stoich.:	AB2C4D24E26 (1)
Weight, g/mol:	448.193297
ΔH_f, kcal/mol:	-3.43
Dipole, Da:	6.05
IP(EA), eV:	-8.28(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CN3CCC(C3)C4=C(SC5=C4C=CC=N5)C(=O)NCCO

DOS

IR

Vibrations