Geometry & MOs

Info

ID:	436270
PubChem CID:	135196513
Reduced:	N3O4C14H25 (1)
Stoich.:	A3B4C14D25 (1)
Weight, g/mol:	626.095278
ΔH_f, kcal/mol:	-189.11
Dipole, Da:	6.18
IP(EA), eV:	-9.31(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[12-oxo-10-(trifluoromethyl)benzo[a]xanthen-2-yl]-11-(trifluoromethyl)benzo[a]xanthen-12-one

Drug info:

PubChemData

Smile

CC(C)N[C@@H](CC(=O)O)C(=O)NC[C@@H]1C(=CC(N1)(C)C)O

DOS

IR

Vibrations