Geometry & MOs

Info

ID:	214452
PubChem CID:	85083058
Reduced:	NO8C30H33 (1)
Stoich.:	AB8C30D33 (1)
Weight, g/mol:	535.196334
ΔH_f, kcal/mol:	-263.67
Dipole, Da:	4.6
IP(EA), eV:	-8.33(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,15-dimethyl-4,14-diphenyl-6,9,12-trioxa-3,15,21-triazabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dithione

Drug info:

PubChemData

Smile

COC1=CC23CCCN2CCC4=CC5=C(C=C4C3C1OC(=O)C(CC6=CC=CC=C6)(CC(=O)OC)O)OCO5

DOS

IR

Vibrations