Geometry & MOs

Info

ID:	330910
PubChem CID:	127248317
Reduced:	SO2N4C25H26 (1)
Stoich.:	AB2C4D25E26 (1)
Weight, g/mol:	447.172896
ΔH_f, kcal/mol:	10.65
Dipole, Da:	0.68
IP(EA), eV:	-8.96(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]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)CC4=CC5=C(C=C4)N=CC=C5

DOS

IR

Vibrations