Geometry & MOs

Info

ID:	330817
PubChem CID:	127248224
Reduced:	SO3N5C21H23 (1)
Stoich.:	AB3C5D21E23 (1)
Weight, g/mol:	427.136591
ΔH_f, kcal/mol:	-30.53
Dipole, Da:	2.06
IP(EA), eV:	-9.24(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC1C2=C(SC3=C2C=CC=N3)C(=O)N4CCOCC4)C(=O)CN5C=CC=N5

DOS

IR

Vibrations