Geometry & MOs

Info

ID:	419956
PubChem CID:	135110214
Reduced:	ON4C21H24 (1)
Stoich.:	AB4C21D24 (1)
Weight, g/mol:	331.156577
ΔH_f, kcal/mol:	13.17
Dipole, Da:	4.39
IP(EA), eV:	-8.57(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1N2C[C@H]([C@@H](C2)O)CC3=NC4=CC=CC=C4C=C3)C)C

DOS

IR

Vibrations