Geometry & MOs

Info

ID:	440266
PubChem CID:	135230197
Reduced:	SN8H12C14 (1)
Stoich.:	AB8C12D14 (1)
Weight, g/mol:	708.12064
ΔH_f, kcal/mol:	186.91
Dipole, Da:	5.46
IP(EA), eV:	-9.34(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[(5-amino-2-bromophenyl)methyl]-4-N-[(4-chlorophenyl)methyl]-4-N-cyclopentyl-1-N-(piperidin-4-ylmethyl)benzene-1,4-disulfonamide

Drug info:

PubChemData

Smile

CN1C(=NN=N1)N2C3=CC=CC=C3N=C2SCC4=NC=NC=C4

DOS

IR

Vibrations