Geometry & MOs

Info

ID:	149293
PubChem CID:	53788965
Reduced:	PN2O3C9H23 (1)
Stoich.:	AB2C3D9E23 (1)
Weight, g/mol:	448.165465
ΔH_f, kcal/mol:	-174.17
Dipole, Da:	1.67
IP(EA), eV:	-9.22(0.77)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

benzyl 4-[5-[(2-acetylsulfanyl-2-methylpropanoyl)amino]oxadiazol-3-ium-3-yl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)CNOP(=O)(C)ONCC(C)C

DOS

IR

Vibrations