Geometry & MOs

Info

ID:	267010
PubChem CID:	103580433
Reduced:	BrClON2C12H18 (1)
Stoich.:	ABCD2E12F18 (1)
Weight, g/mol:	352.98519
ΔH_f, kcal/mol:	-35.66
Dipole, Da:	2.62
IP(EA), eV:	-8.93(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3,5-dimethylphenyl)-4-chlorobutane-1-sulfonamide

Drug info:

PubChemData

Smile

CCOCC(C(C)C)NC1=C(C=C(C=N1)Br)Cl

DOS

IR

Vibrations