Geometry & MOs

Info

ID:	80899
PubChem CID:	49847001
Reduced:	ClSO3N6C30H33 (1)
Stoich.:	ABC3D6E30F33 (1)
Weight, g/mol:	508.251955
ΔH_f, kcal/mol:	-39.03
Dipole, Da:	7.38
IP(EA), eV:	-8.67(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[7-[[3,4-dioxo-2-(pyridin-4-ylamino)cyclobuten-1-yl]amino]octyl]-N-(2-fluoroethyl)cyclohexanesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)Cl)S(=O)(=O)N(C)CC2=NC3=C(C=CC=C3N2)C(=O)N4CCC5(CC4)CCN(C5)C6=CC=NC=C6

DOS

IR

Vibrations