Geometry & MOs

Info

ID:	50071
PubChem CID:	12011981
Reduced:	SC14O14H26 (1)
Stoich.:	AB14C14D26 (1)
Weight, g/mol:	277.014185
ΔH_f, kcal/mol:	-613.99
Dipole, Da:	8.28
IP(EA), eV:	-10.57(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl chloride

Drug info:

PubChemData

Smile

CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@@]2([C@@H]([C@@H]([C@H]([C@H](O2)CO)O)O)O)CS(=O)(=O)O)O

DOS

IR

Vibrations