Geometry & MOs

Info

ID:	25992
PubChem CID:	635323
Reduced:	NO2H8C15 (2)
Stoich.:	AB2C8D15 (2)
Weight, g/mol:	468.136159
ΔH_f, kcal/mol:	-10.24
Dipole, Da:	0.68
IP(EA), eV:	-9.06(-2.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-benzoyl-2-hydroxy-7-phenyl-8-oxatricyclo[7.4.0.03,6]trideca-1(13),2,4,6,9,11-hexaen-4-yl)-phenylmethanone

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2N3C(=O)C4=CC5=C(C=C4C3=O)C(=O)N(C5=O)C6=CC=CC7=CC=CC=C76

DOS

IR

Vibrations