Geometry & MOs

Info

ID:	384811
PubChem CID:	134977716
Reduced:	NSO3C18H21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	553.08789
ΔH_f, kcal/mol:	-77.14
Dipole, Da:	6.88
IP(EA), eV:	-8.91(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 16-iodo-13,14,16-trimethyl-10-aza-16lambda5-phosphatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,13-hexaene-11,17-dicarboxylate

Drug info:

PubChemData

Smile

C/C=C(/C)\C(NS(=O)(=O)C1=CC=C(C=C1)C)OC2=CC=CC=C2

DOS

IR

Vibrations