Geometry & MOs

Info

ID:	41632
PubChem CID:	8146639
Reduced:	FSO2N3H17C19 (1)
Stoich.:	ABC2D3E17F19 (1)
Weight, g/mol:	385.146013
ΔH_f, kcal/mol:	-21.92
Dipole, Da:	9.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.813462
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CO1)[NH2+]CC2=NC3=C(C(=CS3)C4=CC=C(C=C4)F)C(=O)N2

DOS

IR

Vibrations