Geometry & MOs

Info

ID:	419284
PubChem CID:	135107887
Reduced:	NO2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	351.125277
ΔH_f, kcal/mol:	-101.88
Dipole, Da:	2.83
IP(EA), eV:	-8.84(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C(=NO2)N3CC[C@@H]4CCCC[C@H]4C3)C(=O)O

DOS

IR

Vibrations