Geometry & MOs

Info

ID:	40304
PubChem CID:	8143903
Reduced:	OSN3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	275.109233
ΔH_f, kcal/mol:	44.48
Dipole, Da:	6.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.805064
Charge, e:	0

Chem-info

IUPAC name:

5-(2-methylphenyl)-3-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole-2-thione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NN(C(=S)O2)C[NH+]3CCCC3

DOS

IR

Vibrations