Geometry & MOs

Info

ID:	48489
PubChem CID:	10587532
Reduced:	N2O5H10C12 (1)
Stoich.:	A2B5C10D12 (1)
Weight, g/mol:	266.119664
ΔH_f, kcal/mol:	-93.97
Dipole, Da:	2.63
IP(EA), eV:	-10.12(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-butylsulfanyl-2-methylpropan-2-yl)sulfanyl-2-methylpropane-2-thiol

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1[N+](=O)[O-])C)C(=CC(=O)C(=O)N2)O

DOS

IR

Vibrations