Geometry & MOs

Info

ID:	330858
PubChem CID:	127248265
Reduced:	S2N3O4C20H21 (1)
Stoich.:	A2B3C4D20E21 (1)
Weight, g/mol:	439.192963
ΔH_f, kcal/mol:	-85.68
Dipole, Da:	5.97
IP(EA), eV:	-9.16(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]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)S(=O)(=O)C4=CC=CC=C4OC

DOS

IR

Vibrations