Geometry & MOs

Info

ID:	420794
PubChem CID:	135114818
Reduced:	SN3O4C18H23 (1)
Stoich.:	AB3C4D18E23 (1)
Weight, g/mol:	383.184506
ΔH_f, kcal/mol:	-134.89
Dipole, Da:	4.89
IP(EA), eV:	-9.64(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CN1C(=O)CCCS(=O)(=O)N)O)CC2=CC=NC3=CC=CC=C23

DOS

IR

Vibrations