Geometry & MOs

Info

ID:	330869
PubChem CID:	127248276
Reduced:	SO2N6H22C23 (1)
Stoich.:	AB2C6D22E23 (1)
Weight, g/mol:	440.168225
ΔH_f, kcal/mol:	51.47
Dipole, Da:	6.43
IP(EA), eV:	-9.23(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[2-[(4-fluorophenyl)methyl-methylamino]acetyl]pyrrolidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=C(C2=C(S1)N=CC=C2)C3CCN(C3)C(=O)C4=CN=C(C=C4)N5C=CC=N5

DOS

IR

Vibrations