Geometry & MOs

Info

ID:	299875
PubChem CID:	117819406
Reduced:	F2N2S2O3H22C25 (1)
Stoich.:	A2B2C2D3E22F25 (1)
Weight, g/mol:	396.9136
ΔH_f, kcal/mol:	-144.17
Dipole, Da:	4.6
IP(EA), eV:	-8.78(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dibromo-1-phenylcyclopropyl)-3-nitrobenzene

Drug info:

PubChemData

Smile

CC(C)(C1=CC(=CC=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)NS(=O)(=O)C)C4=C(C=C(C=C4)F)F

DOS

IR

Vibrations