Geometry & MOs

Info

ID:	180925
PubChem CID:	76705526
Reduced:	NO4C11H13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	454.177372
ΔH_f, kcal/mol:	-132.7
Dipole, Da:	4.57
IP(EA), eV:	-8.74(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-[3-(oxan-4-yloxy)phenyl]ethylsulfonyl]propoxymethyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=CC(=O)N1C(=COC)C(=O)OC

DOS

IR

Vibrations