Geometry & MOs

Info

ID:	330815
PubChem CID:	127248222
Reduced:	SO2N3C23H31 (1)
Stoich.:	AB2C3D23E31 (1)
Weight, g/mol:	447.139882
ΔH_f, kcal/mol:	-57.85
Dipole, Da:	4.04
IP(EA), eV:	-8.87(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CN2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N5CCOCC5

DOS

IR

Vibrations