Geometry & MOs

Info

ID:	41635
PubChem CID:	8146645
Reduced:	ClON4H15C16 (1)
Stoich.:	ABC4D15E16 (1)
Weight, g/mol:	416.164402
ΔH_f, kcal/mol:	44.19
Dipole, Da:	2.88
IP(EA), eV:	-9.4(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=NN2CC(=O)NCCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations