Geometry & MOs

Info

ID:	56624
PubChem CID:	17487235
Reduced:	OSN5C19H21 (1)
Stoich.:	ABC5D19E21 (1)
Weight, g/mol:	415.079112
ΔH_f, kcal/mol:	71.82
Dipole, Da:	3.07
IP(EA), eV:	-8.32(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chlorophenyl)-3-[[(1,1-dioxothiolan-3-yl)-(2-methylpropyl)amino]methyl]-1,3,4-oxadiazole-2-thione

Drug info:

PubChemData

Smile

C1CN(CCN1CN2C(=S)N(C=N2)C3=CC=CC=C3)C4=CC=CC=C4O

DOS

IR

Vibrations