Geometry & MOs

Info

ID:	233225
PubChem CID:	89449367
Reduced:	SCl2N2F3O4H21C22 (1)
Stoich.:	AB2C2D3E4F21G22 (1)
Weight, g/mol:	326.049191
ΔH_f, kcal/mol:	-255.99
Dipole, Da:	3.56
IP(EA), eV:	-9.97(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-chlorothieno[3,2-b]pyridin-2-yl)-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=C)CC(C2=CC(=CC(=C2)Cl)Cl)(C(F)(F)F)ON)C(=O)NC3CS(=O)(=O)C3

DOS

IR

Vibrations