Geometry & MOs

Info

ID:	414686
PubChem CID:	135087645
Reduced:	ClSN2O3C17H25 (1)
Stoich.:	ABC2D3E17F25 (1)
Weight, g/mol:	336.148535
ΔH_f, kcal/mol:	-128.18
Dipole, Da:	2.96
IP(EA), eV:	-8.82(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluoro-3-methoxyphenyl)-3-[methyl(3-methylbutyl)amino]-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)S(=O)(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations