Geometry & MOs

Info

ID:	415979
PubChem CID:	135088984
Reduced:	FN2O5C19H23 (1)
Stoich.:	AB2C5D19E23 (1)
Weight, g/mol:	321.081698
ΔH_f, kcal/mol:	-185.5
Dipole, Da:	2.33
IP(EA), eV:	-9.34(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,4R)-4-hydroxy-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide

Drug info:

PubChemData

Smile

CN(CC1(CCCC1)CO)C2=NOC(=C2C(=O)O)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations