Geometry & MOs

Info

ID:	179994
PubChem CID:	76563884
Reduced:	SC4H4 (4)
Stoich.:	AB4C4 (4)
Weight, g/mol:	798.376263
ΔH_f, kcal/mol:	64.7
Dipole, Da:	1.7
IP(EA), eV:	-8.32(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-ditert-butyl-6-(2-propylsulfanylanilino)phenolate;nickel(2+)

Drug info:

PubChemData

Smile

CC1=CC=CC=C1SC(=C(S)SC2=CC=CC=C2C)S

DOS

IR

Vibrations