Geometry & MOs

Info

ID:	189864
PubChem CID:	77916194
Reduced:	O3C12H13 (2)
Stoich.:	A3B12C13 (2)
Weight, g/mol:	463.159079
ΔH_f, kcal/mol:	-206.07
Dipole, Da:	3.21
IP(EA), eV:	-9.13(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-hydroxy-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methoxycarbonylamino]propanoyl benzoate

Drug info:

PubChemData

Smile

CC(=C)C1CC(C(C1)(C)C)C2=C(C3=C(C=C2O)OC4=C(C3=O)C=CC(=C4OC)O)O

DOS

IR

Vibrations