Geometry & MOs

Info

ID:	85548
PubChem CID:	49876741
Reduced:	ClFNO2C17H26 (1)
Stoich.:	ABCD2E17F26 (1)
Weight, g/mol:	538.097022
ΔH_f, kcal/mol:	-109.28
Dipole, Da:	1.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751244
Charge, e:	-1

Chem-info

IUPAC name:

N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-[2-(3,4-dihydroxyphenyl)ethylamino]acetamide;chloride

Drug info:

PubChemData

Smile

CC1CCCC(N1CC(COCC2=CC=CC=C2F)O)C.[Cl-]

DOS

IR

Vibrations