Geometry & MOs

Info

ID:	440237
PubChem CID:	135230168
Reduced:	ClS2N4O4C32H41 (1)
Stoich.:	AB2C4D4E32F41 (1)
Weight, g/mol:	525.152277
ΔH_f, kcal/mol:	-114.45
Dipole, Da:	4.77
IP(EA), eV:	-8.36(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(4-chlorophenyl)methyl]-4-N-cyclopentyl-1-N-(piperidin-4-ylmethyl)benzene-1,4-disulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CN(CC2CCNCC2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N(CC4=CC=C(C=C4)Cl)C5CCCC5)N

DOS

IR

Vibrations