Geometry & MOs

Info

ID:	163741
PubChem CID:	58874761
Reduced:	SN6O6H24C26 (1)
Stoich.:	AB6C6D24E26 (1)
Weight, g/mol:	610.355277
ΔH_f, kcal/mol:	-64.17
Dipole, Da:	2.0
IP(EA), eV:	-9.35(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(benzenesulfonamido)-1-cyclohexyl-3-oxopropyl]-3-(cyclohexylamino)-4-[methyl(3-methylbutyl)amino]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=C(C=C3)NCCCN4C=CN=C4)[N+](=O)[O-]

DOS

IR

Vibrations