Geometry & MOs

Info

ID:	137949
PubChem CID:	52289642
Reduced:	FSCl2N3O4C19H23 (1)
Stoich.:	ABC2D3E4F19G23 (1)
Weight, g/mol:	483.048467
ΔH_f, kcal/mol:	-100.78
Dipole, Da:	15.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.825642
Charge, e:	-1

Chem-info

IUPAC name:

(3-ethynylphenyl)-[5-[(3-ethynylphenyl)sulfamoyl]-2-fluoro-4-methoxyphenyl]sulfonylazanide

Drug info:

PubChemData

Smile

CC(C)(CN(CC1=CC(=C(C=C1)Cl)Cl)S(=O)(=O)C2=CC=CC(=C2[N+](=O)[O-])F)[NH+](C)C

DOS

IR

Vibrations