Geometry & MOs

Info

ID:	339496
PubChem CID:	127261429
Reduced:	SO2C10H14 (1)
Stoich.:	AB2C10D14 (1)
Weight, g/mol:	393.007386
ΔH_f, kcal/mol:	-33.74
Dipole, Da:	4.96
IP(EA), eV:	-8.44(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2-(chloromethylsulfonyl)-2-(5-nitrofuran-2-yl)ethenyl]-5-phenylfuran

Drug info:

PubChemData

Smile

CC(C)(C)/C=C/[S@@](=O)C1=CC=CO1

DOS

IR

Vibrations