Geometry & MOs

Info

ID:	398091
PubChem CID:	135031734
Reduced:	NSO3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	431.119186
ΔH_f, kcal/mol:	-24.97
Dipole, Da:	8.51
IP(EA), eV:	-9.26(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-O-tert-butyl 4-O,5-O-dimethyl 3-[4-(trifluoromethyl)phenyl]-3H-1,2-oxazole-2,4,5-tricarboxylate

Drug info:

PubChemData

Smile

CC(C)(C)[S@@](=O)NC(C(=O)O)C12C3C4C1C5C4C3C25

DOS

IR

Vibrations