Geometry & MOs

Info

ID:	330855
PubChem CID:	127248262
Reduced:	OSN6C23H28 (1)
Stoich.:	ABC6D23E28 (1)
Weight, g/mol:	449.063462
ΔH_f, kcal/mol:	27.77
Dipole, Da:	1.88
IP(EA), eV:	-8.59(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NC=C(C=N2)CN3CCC(C3)C4=C(SC5=C4C=CC=N5)C(=O)N

DOS

IR

Vibrations