Geometry & MOs

Info

ID:	187657
PubChem CID:	77606219
Reduced:	ON2C6H11 (2)
Stoich.:	AB2C6D11 (2)
Weight, g/mol:	432.01822
ΔH_f, kcal/mol:	-93.52
Dipole, Da:	5.43
IP(EA), eV:	-9.75(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzoyl-1-(3,4-dihydroxybutyl)-5-iodo-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCCCCC1NC2C(N1)N(C(=O)NC2=O)CC

DOS

IR

Vibrations