Geometry & MOs

Info

ID:	25103
PubChem CID:	618961
Reduced:	NOSC14H17 (1)
Stoich.:	ABCD14E17 (1)
Weight, g/mol:	396.23006
ΔH_f, kcal/mol:	-19.48
Dipole, Da:	3.07
IP(EA), eV:	-9.27(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(4-tert-butylphenyl) pentanedioate

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(N=C(O2)S)C3=CC=CC=C3

DOS

IR

Vibrations