Geometry & MOs

Info

ID:	208551
PubChem CID:	80543701
Reduced:	SN2O3C13H20 (1)
Stoich.:	AB2C3D13E20 (1)
Weight, g/mol:	260.127326
ΔH_f, kcal/mol:	-132.18
Dipole, Da:	5.98
IP(EA), eV:	-8.56(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-methyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]butanamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C(=O)OC)NC(=O)C(C)CCN)C

DOS

IR

Vibrations