Geometry & MOs

Info

ID:	222588
PubChem CID:	85305574
Reduced:	Cl2N2O4H8C17 (1)
Stoich.:	A2B2C4D8E17 (1)
Weight, g/mol:	377.158685
ΔH_f, kcal/mol:	-87.94
Dipole, Da:	9.58
IP(EA), eV:	-9.48(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-3-yl] N-benzylcarbamate

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C3C(C2=O)C(=O)N(C3=O)C4=CC(=CC(=C4)Cl)Cl)O)N=C1

DOS

IR

Vibrations