Geometry & MOs

Info

ID:	426712
PubChem CID:	135153502
Reduced:	ClF2S2N4H5C9 (1)
Stoich.:	AB2C2D4E5F9 (1)
Weight, g/mol:	496.257337
ΔH_f, kcal/mol:	7.89
Dipole, Da:	3.16
IP(EA), eV:	-9.38(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(4-methoxy-4-oxobutan-2-yl)-N-(2-methylpropyl)-2-nitroanilino]cyclohexyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=NC=C1NC(=S)C2=C(N=NS2)C(F)F)Cl

DOS

IR

Vibrations