Geometry & MOs

Info

ID:	330866
PubChem CID:	127248273
Reduced:	SO3N4C22H30 (1)
Stoich.:	AB3C4D22E30 (1)
Weight, g/mol:	443.133734
ΔH_f, kcal/mol:	-95.99
Dipole, Da:	5.29
IP(EA), eV:	-9.06(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-[1-(3-phenylpropylsulfonyl)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)CC(=O)N4CCCCC4

DOS

IR

Vibrations