Geometry & MOs

Info

ID:	398741
PubChem CID:	135035162
Reduced:	BrCl2N2H5C11 (1)
Stoich.:	AB2C2D5E11 (1)
Weight, g/mol:	556.258674
ΔH_f, kcal/mol:	47.22
Dipole, Da:	0.34
IP(EA), eV:	-9.04(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-7-oxo-5-phenyl-8-(2-phenylethyl)-2,3,4,8,18-pentazatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,10,12,14,16-heptaene-9-carboxamide

Drug info:

PubChemData

Smile

C1=C(C=C(C2=C1C3=C(N2)N=CC(=C3)Cl)Br)Cl

DOS

IR

Vibrations