Geometry & MOs

Info

ID:	392945
PubChem CID:	135018625
Reduced:	SN2O5C18H22 (1)
Stoich.:	AB2C5D18E22 (1)
Weight, g/mol:	498.25588
ΔH_f, kcal/mol:	-97.94
Dipole, Da:	10.44
IP(EA), eV:	-8.89(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-3-(5-tert-butyl-2-phenyl-1-benzofuran-3-yl)-2-phenyl-1-benzofuran

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2CC(C(C)(C)CC=O)[N+](=O)[O-]

DOS

IR

Vibrations