Geometry & MOs

Info

ID:	415787
PubChem CID:	135088788
Reduced:	ON3C22H29 (1)
Stoich.:	AB3C22D29 (1)
Weight, g/mol:	363.06557
ΔH_f, kcal/mol:	0.09
Dipole, Da:	2.85
IP(EA), eV:	-8.4(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,4R)-1-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2CCC(CC2)N[C@@H]3COC[C@H]3CC4=CC=NC=C4

DOS

IR

Vibrations