Geometry & MOs

Info

ID:	16737
PubChem CID:	476183
Reduced:	SN4C18H20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	324.140868
ΔH_f, kcal/mol:	77.68
Dipole, Da:	6.24
IP(EA), eV:	-8.14(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzothiazol-2-yl)-1,2-diethyl-3-phenylguanidine

Drug info:

PubChemData

Smile

CCN=C(NC1=CC=CC=C1)N(CC)C2=NC3=CC=CC=C3S2

DOS

IR

Vibrations