Geometry & MOs

Info

ID:	392616
PubChem CID:	135017388
Reduced:	NCl3O7C26H28 (1)
Stoich.:	AB3C7D26E28 (1)
Weight, g/mol:	546.093555
ΔH_f, kcal/mol:	-259.43
Dipole, Da:	3.1
IP(EA), eV:	-9.39(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3,5-dichlorophenyl)prop-2-ynyl]-N-(9-ethylcarbazol-3-yl)-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC=CO[C@@H]1C(C([C@H]2C(O1)COC(O2)C3=CC=CC=C3)OCC4=CC=CC=C4)NC(=O)OCC(Cl)(Cl)Cl

DOS

IR

Vibrations