Geometry & MOs

Info

ID:	213576
PubChem CID:	81064228
Reduced:	ClNS2O3C11H18 (1)
Stoich.:	ABC2D3E11F18 (1)
Weight, g/mol:	289.106256
ΔH_f, kcal/mol:	-118.01
Dipole, Da:	4.21
IP(EA), eV:	-9.57(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CCOCCN(C)S(=O)(=O)C1=CC=C(S1)CCCl

DOS

IR

Vibrations