Geometry & MOs

Info

ID:	179170
PubChem CID:	76444932
Reduced:	O5C20H32 (1)
Stoich.:	A5B20C32 (1)
Weight, g/mol:	611.04881
ΔH_f, kcal/mol:	-236.08
Dipole, Da:	7.37
IP(EA), eV:	-10.68(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-iodophenyl)-N-[[1-[[2-(6-oxocyclohexa-2,4-dien-1-ylidene)-3H-quinolin-3-yl]methyl]triazol-4-yl]methyl]methanesulfonamide

Drug info:

PubChemData

Smile

CCCCCCCCC1C(CC(C1CCC(=O)CC#CC(=O)O)O)O

DOS

IR

Vibrations