Geometry & MOs

Info

ID:	49966
PubChem CID:	11538469
Reduced:	SCl2N2O2H16C18 (1)
Stoich.:	AB2C2D2E16F18 (1)
Weight, g/mol:	395.184506
ΔH_f, kcal/mol:	-43.97
Dipole, Da:	3.45
IP(EA), eV:	-8.54(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-(4-methoxyphenoxy)hexylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2[C@@H]1NC(=S)N3CC4=C(C3)C(=C(C(=C4Cl)O)O)Cl

DOS

IR

Vibrations