Geometry & MOs

Info

ID:	213330
PubChem CID:	81063464
Reduced:	ClNSO3C13H16 (1)
Stoich.:	ABCD3E13F16 (1)
Weight, g/mol:	254.126657
ΔH_f, kcal/mol:	-131.77
Dipole, Da:	3.74
IP(EA), eV:	-9.22(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CSC1=CC=C(C=C1)Cl

DOS

IR

Vibrations