Geometry & MOs

Info

ID:	41657
PubChem CID:	8146711
Reduced:	SO2N3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	355.135448
ΔH_f, kcal/mol:	38.18
Dipole, Da:	7.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.810571
Charge, e:	0

Chem-info

IUPAC name:

3-[[benzyl(ethyl)amino]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-thione

Drug info:

PubChemData

Smile

CC[NH+](CC1=CC=CC=C1)CN2C(=S)OC(=N2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations