Geometry & MOs

Info

ID:	420344
PubChem CID:	135112624
Reduced:	SO2N3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	384.064363
ΔH_f, kcal/mol:	4.73
Dipole, Da:	6.88
IP(EA), eV:	-9.09(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dichlorophenoxy)-1-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)C3=CN(N=C3)CC4=CC=CC=C4)C5=C1C=CS5

DOS

IR

Vibrations