Geometry & MOs

Info

ID:	203271
PubChem CID:	79805978
Reduced:	N2F3O3C12H13 (1)
Stoich.:	A2B3C3D12E13 (1)
Weight, g/mol:	254.126657
ΔH_f, kcal/mol:	-269.42
Dipole, Da:	4.53
IP(EA), eV:	-9.46(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-ethylbutanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)(C(F)(F)F)N

DOS

IR

Vibrations