Geometry & MOs

Info

ID:	306028
PubChem CID:	125000764
Reduced:	O3N4C24H26 (1)
Stoich.:	A3B4C24D26 (1)
Weight, g/mol:	412.136925
ΔH_f, kcal/mol:	-54.65
Dipole, Da:	4.27
IP(EA), eV:	-8.68(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-6-[(2S)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)[C@H]2CN(CCO2)C(=O)C3=CN=C(C=C3)N)CC4=CC(=CC=C4)OC

DOS

IR

Vibrations