Geometry & MOs

Info

ID:	46516
PubChem CID:	10524903
Reduced:	O7C22H22 (1)
Stoich.:	A7B22C22 (1)
Weight, g/mol:	398.13789
ΔH_f, kcal/mol:	-256.06
Dipole, Da:	5.68
IP(EA), eV:	-9.45(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-diphenyl-5-[(E)-1-phenylethylideneamino]-1,3,5-triazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)OC1=CC2=C(C=C1)C(C(C(=O)O2)C(=O)OC)C3=CC=CC=C3

DOS

IR

Vibrations