Geometry & MOs

Info

ID:	440227
PubChem CID:	135230158
Reduced:	ClS2O4N5C29H36 (1)
Stoich.:	AB2C4D5E29F36 (1)
Weight, g/mol:	534.104992
ΔH_f, kcal/mol:	-82.19
Dipole, Da:	3.64
IP(EA), eV:	-9.01(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)N(CC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N(CC4CCNCC4)CC5=NC=CN=C5

DOS

IR

Vibrations