Geometry & MOs

Info

ID:	40776
PubChem CID:	8144683
Reduced:	SO2N5C21H21 (1)
Stoich.:	AB2C5D21E21 (1)
Weight, g/mol:	313.079293
ΔH_f, kcal/mol:	33.14
Dipole, Da:	0.95
IP(EA), eV:	-8.59(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(morpholin-4-ium-4-ylmethyl)-1,3,4-oxadiazole-2-thione

Drug info:

PubChemData

Smile

C1COCCN1CN2C(=S)N3C4=CC=CC=C4C(=O)N(C3=N2)CC5=CC=CC=C5

DOS

IR

Vibrations