Geometry & MOs

Info

ID:	41701
PubChem CID:	8146854
Reduced:	OSN4C21H27 (1)
Stoich.:	ABC4D21E27 (1)
Weight, g/mol:	361.115679
ΔH_f, kcal/mol:	65.26
Dipole, Da:	6.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.820305
Charge, e:	1

Chem-info

IUPAC name:

benzyl-ethyl-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]azanium

Drug info:

PubChemData

Smile

CCN1C(=NN(C1=S)C[NH+](CC)CC2=CC=CC=C2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations