Geometry & MOs

Info

ID:	159050
PubChem CID:	57260074
Reduced:	INSO8C18H18 (1)
Stoich.:	ABCD8E18F18 (1)
Weight, g/mol:	285.129969
ΔH_f, kcal/mol:	-246.06
Dipole, Da:	3.3
IP(EA), eV:	-9.52(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methylanilino)diazenyl]-1-phenylpropane-1-thiol

Drug info:

PubChemData

Smile

CC(=O)OCC1=C(N2[C@@H]([C@H](C2=O)OC)S(=O)(=O)C1)C(=O)OCC3=CC(=CC=C3)I

DOS

IR

Vibrations