Geometry & MOs

Info

ID:	327831
PubChem CID:	126691130
Reduced:	O3N6C28H34 (1)
Stoich.:	A3B6C28D34 (1)
Weight, g/mol:	225.094926
ΔH_f, kcal/mol:	-36.86
Dipole, Da:	6.53
IP(EA), eV:	-8.78(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3,5-di(propan-2-yl)benzenesulfinate

Drug info:

PubChemData

Smile

C1CCN(C1)C/C=C/C(=O)N2CCC(C2)N=C(/C(=C(/C3=CC=C(C=C3)OC4=CC=CC=C4)\N)/C(=O)N)N

DOS

IR

Vibrations