Geometry & MOs

Info

ID:	219488
PubChem CID:	85148751
Reduced:	ClSN3O4H18C27 (1)
Stoich.:	ABC3D4E18F27 (1)
Weight, g/mol:	516.11212
ΔH_f, kcal/mol:	-11.33
Dipole, Da:	5.14
IP(EA), eV:	-9.03(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-hydroxy-3-iodophenyl)methyl]-4-methyl-1-oxa-4,7-diazacyclohexadecane-2,5,8-trione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=O)N3N=CC5=CC=C(C=C5)Cl

DOS

IR

Vibrations