Geometry & MOs

Info

ID:	48657
PubChem CID:	11110302
Reduced:	OCl2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	330.082741
ΔH_f, kcal/mol:	-69.01
Dipole, Da:	1.93
IP(EA), eV:	-9.51(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-N-hydroxy-2-[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1([C@@]2([C@H]3CC=C[C@H]3[C@]1(C(=C2Cl)Cl)Cl)Cl)OC

DOS

IR

Vibrations