Geometry & MOs

Info

ID:	297837
PubChem CID:	117633390
Reduced:	F3P3N7O10C22H37 (1)
Stoich.:	A3B3C7D10E22F37 (1)
Weight, g/mol:	456.251189
ΔH_f, kcal/mol:	-672.91
Dipole, Da:	8.72
IP(EA), eV:	-9.18(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,2-dimethylbutanoyloxy(methoxy)methyl] 4-[4-(3-methylpentan-3-yl)phenoxy]benzoate

Drug info:

PubChemData

Smile

C1C[C@@H](O[C@@H]1COP(O)OP(ON)OP(O)O)N2C=C(C(=C2)C(=NC=N)N)CCC(=O)NCCCCCCNC(=O)C(F)(F)F

DOS

IR

Vibrations