Geometry & MOs

Info

ID:	440236
PubChem CID:	135230167
Reduced:	NOC3H6 (2)
Stoich.:	ABC3D6 (2)
Weight, g/mol:	644.225776
ΔH_f, kcal/mol:	-41.72
Dipole, Da:	3.25
IP(EA), eV:	-9.59(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[(3-amino-4-methylphenyl)methyl]-4-N-[(4-chlorophenyl)methyl]-4-N-cyclopentyl-1-N-(piperidin-4-ylmethyl)benzene-1,4-disulfonamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC)N=O

DOS

IR

Vibrations