Geometry & MOs

Info

ID:	162209
PubChem CID:	57393942
Reduced:	N10C17H22 (1)
Stoich.:	A10B17C22 (1)
Weight, g/mol:	434.118795
ΔH_f, kcal/mol:	209.61
Dipole, Da:	3.66
IP(EA), eV:	-9.25(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-phenyl-2-[2-(3-propylsulfonylphenyl)ethynyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

C1=CN(C=C1)C2=NN(N=N2)CCCCCCCN3N=C(N=N3)N4C=CC=C4

DOS

IR

Vibrations