Geometry & MOs

Info

ID:	23885
PubChem CID:	606996
Reduced:	N2O5F7C18H21 (1)
Stoich.:	A2B5C7D18E21 (1)
Weight, g/mol:	478.133869
ΔH_f, kcal/mol:	-568.56
Dipole, Da:	3.8
IP(EA), eV:	-10.53(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-dimethyl-2,4,6-trioxo-5-prop-2-enyl-1,3-diazinan-5-yl)pentan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate

Drug info:

PubChemData

Smile

CC(CC(C)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C1(C(=O)N(C(=O)N(C1=O)C)C)CC=C

DOS

IR

Vibrations