Geometry & MOs

Info

ID:	41027
PubChem CID:	8145139
Reduced:	SN3O3C18H24 (1)
Stoich.:	AB3C3D18E24 (1)
Weight, g/mol:	361.146013
ΔH_f, kcal/mol:	-47.34
Dipole, Da:	15.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.855598
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[[5-(2-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CC[NH+](CC1)CN2C(=S)OC(=N2)C3=CC=CC=C3C

DOS

IR

Vibrations