Geometry & MOs

Info

ID:	220664
PubChem CID:	85201800
Reduced:	PN2O7C29H33 (1)
Stoich.:	AB2C7D29E33 (1)
Weight, g/mol:	550.199153
ΔH_f, kcal/mol:	-292.39
Dipole, Da:	7.22
IP(EA), eV:	-9.46(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-O-ethyl 2-O,3a-O-dimethyl 3-oxo-1,4,7a-triphenyl-4,7-dihydroindene-2,3a,7-tricarboxylate

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)COC(CP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)C(C)OCC4=CC=CC=C4

DOS

IR

Vibrations