Geometry & MOs

Info

ID:	276531
PubChem CID:	103824143
Reduced:	BrSN2O3C13H19 (1)
Stoich.:	ABC2D3E13F19 (1)
Weight, g/mol:	362.02998
ΔH_f, kcal/mol:	-117.85
Dipole, Da:	7.19
IP(EA), eV:	-9.63(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-bromo-4-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Br)S(=O)(=O)NCC(C)(C)C(=O)NC

DOS

IR

Vibrations