Geometry & MOs

Info

ID:	79837
PubChem CID:	49830739
Reduced:	SO2N4C16H16 (1)
Stoich.:	AB2C4D16E16 (1)
Weight, g/mol:	299.163377
ΔH_f, kcal/mol:	-13.02
Dipole, Da:	8.38
IP(EA), eV:	-8.55(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-cyclohexylethylamino)-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CC1=C(N=C2C=C(C=CC2=N1)NS(=O)(=O)C3=CC=C(C=C3)N)C

DOS

IR

Vibrations