Geometry & MOs

Info

ID:	424607
PubChem CID:	135123313
Reduced:	N3O3C24H31 (1)
Stoich.:	A3B3C24D31 (1)
Weight, g/mol:	370.98025
ΔH_f, kcal/mol:	-92.54
Dipole, Da:	2.33
IP(EA), eV:	-8.97(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(2-methylidenebutyl)-5-(trifluoromethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)[C@@H](CC(=O)OC(C)(C)C)C3=CC(=C(C=C3)C)CO)C)N=N1

DOS

IR

Vibrations