Geometry & MOs

Info

ID:	213198
PubChem CID:	81063149
Reduced:	NS2O3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-93.6
Dipole, Da:	4.87
IP(EA), eV:	-8.92(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(3-propan-2-yloxybenzoyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CC2=C(S1)C=CS2

DOS

IR

Vibrations