Geometry & MOs

Info

ID:	343467
PubChem CID:	127266640
Reduced:	SO2N5C16H23 (1)
Stoich.:	AB2C5D16E23 (1)
Weight, g/mol:	332.119464
ΔH_f, kcal/mol:	-33.62
Dipole, Da:	5.3
IP(EA), eV:	-9.22(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,4R)-4-hydroxy-2-(methoxymethyl)pyrrolidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CCN1C=CC(=N1)CC(=O)NC(CC(C)C)C(=O)NC2=NC=CS2

DOS

IR

Vibrations