Geometry & MOs

Info

ID:	191810
PubChem CID:	78188839
Reduced:	S2N5O6C22H31 (1)
Stoich.:	A2B5C6D22E31 (1)
Weight, g/mol:	450.197063
ΔH_f, kcal/mol:	-117.83
Dipole, Da:	5.48
IP(EA), eV:	-9.3(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(dimethylsulfamoylamino)-4-[dimethylsulfamoyl(2-methylpropyl)amino]-3-hydroxybutyl]benzene

Drug info:

PubChemData

Smile

CC(C)CN(CC(C(CC1=CC=CC=C1)NS(=O)(=O)N(C)C)O)S(=O)(=O)C2=CC=CC3=NON=C32

DOS

IR

Vibrations