Geometry & MOs

Info

ID:	411904
PubChem CID:	135084756
Reduced:	N5H35C47 (1)
Stoich.:	A5B35C47 (1)
Weight, g/mol:	513.92356
ΔH_f, kcal/mol:	325.95
Dipole, Da:	4.38
IP(EA), eV:	-7.47(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3-chlorobenzoyl)oxy-phenyl-lambda3-iodanyl] 3-chlorobenzoate

Drug info:

PubChemData

Smile

[CH2-][N+](=C)CC1=C2C(=C3C=CC(=N3)C(=C4C=CC(=N4)C(=C5C=CC(=C(C(=C1)N2)C6=CC=CC=C6)N5)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations