Geometry & MOs

Info

ID:	80809
PubChem CID:	49846046
Reduced:	SO3C18H26 (1)
Stoich.:	AB3C18D26 (1)
Weight, g/mol:	561.298491
ΔH_f, kcal/mol:	-116.55
Dipole, Da:	10.17
IP(EA), eV:	-9.7(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[[3,4-dioxo-2-(pyridin-4-ylamino)cyclobuten-1-yl]amino]hexyl]-N-(3-morpholin-4-ylpropyl)cyclohexanesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)/C=C/CCCCCCCCC=O

DOS

IR

Vibrations