Geometry & MOs

Info

ID:	401647
PubChem CID:	135051978
Reduced:	PN3C27H28 (1)
Stoich.:	AB3C27D28 (1)
Weight, g/mol:	645.02375
ΔH_f, kcal/mol:	103.68
Dipole, Da:	4.47
IP(EA), eV:	-7.78(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(E)-3-(4-chloroanilino)-1-oxo-1-phenylbut-2-en-2-yl]-phenyl-lambda3-iodanyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)NCN=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations