Geometry & MOs

Info

ID:	213505
PubChem CID:	81063930
Reduced:	SN2O3C10H14 (1)
Stoich.:	AB2C3D10E14 (1)
Weight, g/mol:	226.095357
ΔH_f, kcal/mol:	-115.85
Dipole, Da:	3.42
IP(EA), eV:	-9.68(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations