Geometry & MOs

Info

ID:	164796
PubChem CID:	74454634
Reduced:	ClN3O3C22H27 (1)
Stoich.:	AB3C3D22E27 (1)
Weight, g/mol:	456.175716
ΔH_f, kcal/mol:	-88.15
Dipole, Da:	5.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754929
Charge, e:	1

Chem-info

IUPAC name:

[1-(3-fluorophenyl)-2-[[4-[(4-methylphenyl)sulfamoyl]benzoyl]amino]ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1Cl)NC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3O

DOS

IR

Vibrations