Geometry & MOs

Info

ID:	36311
PubChem CID:	8001555
Reduced:	NSO4C15H15 (1)
Stoich.:	ABC4D15E15 (1)
Weight, g/mol:	329.087922
ΔH_f, kcal/mol:	-93.37
Dipole, Da:	2.2
IP(EA), eV:	-8.99(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

benzyl-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-methylazanium

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C(=O)NCCSCC3=CC=CO3

DOS

IR

Vibrations