Geometry & MOs

Info

ID:	189206
PubChem CID:	77826696
Reduced:	BSN2O4C14H24 (1)
Stoich.:	ABC2D4E14F24 (1)
Weight, g/mol:	415.107616
ΔH_f, kcal/mol:	-173.23
Dipole, Da:	4.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753524
Charge, e:	-1

Chem-info

IUPAC name:

2-(2-amino-1-phenylpropan-2-yl)-5-[3-carboxy-5-[methyl(sulfinato)amino]phenyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

[B](NC(CNS(=O)(=O)C1=CC=CC=C1CO)C(C)(C)C)OC

DOS

IR

Vibrations