Geometry & MOs

Info

ID:	79857
PubChem CID:	49830875
Reduced:	SF2N3O3C17H17 (1)
Stoich.:	AB2C3D3E17F17 (1)
Weight, g/mol:	347.022832
ΔH_f, kcal/mol:	-181.82
Dipole, Da:	10.31
IP(EA), eV:	-8.88(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,4-dichlorophenyl)methylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CC1CSC2=C(C(=O)C3=CC(=C(C(=C3N12)F)N4CCC(C4)N)F)C(=O)O

DOS

IR

Vibrations