Geometry & MOs

Info

ID:	124269
PubChem CID:	50876695
Reduced:	N2S2O6C19H26 (1)
Stoich.:	A2B2C6D19E26 (1)
Weight, g/mol:	375.08676
ΔH_f, kcal/mol:	-209.87
Dipole, Da:	6.51
IP(EA), eV:	-9.4(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2,5-dimethyl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)NCC(C)NS(=O)(=O)C2=CC(=C(C=C2)OC)C)OC

DOS

IR

Vibrations