Geometry & MOs

Info

ID:	194833
PubChem CID:	78596358
Reduced:	SN4O4C17H24 (1)
Stoich.:	AB4C4D17E24 (1)
Weight, g/mol:	348.02735
ΔH_f, kcal/mol:	-66.26
Dipole, Da:	7.07
IP(EA), eV:	-9.18(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[1-(4-fluorophenyl)propylideneamino]benzamide

Drug info:

PubChemData

Smile

CC1CCCCC1=NNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

DOS

IR

Vibrations