Geometry & MOs

Info

ID:	419704
PubChem CID:	135108724
Reduced:	N3O3C16H17 (1)
Stoich.:	A3B3C16D17 (1)
Weight, g/mol:	313.109627
ΔH_f, kcal/mol:	-64.57
Dipole, Da:	4.85
IP(EA), eV:	-9.8(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CO1)NC(=O)C2=NC=C(C=C2)O)CC3=CC=NC=C3

DOS

IR

Vibrations