Geometry & MOs

Info

ID:	191563
PubChem CID:	78164117
Reduced:	N2O5C40H80 (1)
Stoich.:	A2B5C40D80 (1)
Weight, g/mol:	459.117092
ΔH_f, kcal/mol:	-386.37
Dipole, Da:	6.96
IP(EA), eV:	-9.37(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[4-[6-(azetidin-2-yl)pyridin-3-yl]phenyl]-2-[(2,2-difluoroacetyl)amino]-3-fluoropropyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCOCC(CNC(=O)CCC(C(=O)OC(C)(C)C)N)OCCCCCCCCCCCCCC

DOS

IR

Vibrations