Geometry & MOs

Info

ID:	440225
PubChem CID:	135230156
Reduced:	ClN2S2O5C29H41 (1)
Stoich.:	AB2C2D5E29F41 (1)
Weight, g/mol:	692.11449
ΔH_f, kcal/mol:	-204.11
Dipole, Da:	1.41
IP(EA), eV:	-9.48(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[(2-bromophenyl)methyl]-4-N-[(4-chlorophenyl)methyl]-1-N-(cyclohexylmethyl)-4-N-cyclopentylbenzene-1,4-disulfonamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CN(CCCCO)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CC3=CC=C(C=C3)Cl)C4CCCC4

DOS

IR

Vibrations