Geometry & MOs

Info

ID:	70373
PubChem CID:	48413255
Reduced:	BrClSO2N3C14H15 (1)
Stoich.:	ABCD2E3F14G15 (1)
Weight, g/mol:	413.96852
ΔH_f, kcal/mol:	-7.33
Dipole, Da:	7.33
IP(EA), eV:	-9.44(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-bromophenyl)cyclopropyl]-3-fluoro-2-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1S(=O)(=O)NC2(CC2)C3=CC=C(C=C3)Br)Cl)C

DOS

IR

Vibrations