Geometry & MOs

Info

ID:	213259
PubChem CID:	81063276
Reduced:	NO3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	294.067428
ΔH_f, kcal/mol:	-151.89
Dipole, Da:	2.97
IP(EA), eV:	-9.62(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC/C=C(/C)\C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations