Geometry & MOs

Info

ID:	41636
PubChem CID:	8146646
Reduced:	SN3O4C21H26 (1)
Stoich.:	AB3C4D21E26 (1)
Weight, g/mol:	415.156577
ΔH_f, kcal/mol:	-37.34
Dipole, Da:	4.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.253472
Charge, e:	0

Chem-info

IUPAC name:

3-[[benzyl(ethyl)amino]methyl]-5-(3,4,5-trimethoxyphenyl)-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)OC)OC

DOS

IR

Vibrations