Geometry & MOs

Info

ID:	300530
PubChem CID:	121360426
Reduced:	PN4O7C26H39 (1)
Stoich.:	AB4C7D26E39 (1)
Weight, g/mol:	408.100757
ΔH_f, kcal/mol:	-349.49
Dipole, Da:	8.33
IP(EA), eV:	-9.0(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1,1,1,3,3,3-hexafluoro-2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]propan-2-yl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C/C(=C\C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N2CCN(CC2)C)C(C)(C)C)/C3=CC=C(C=C3)OP(=O)(O)O

DOS

IR

Vibrations