Geometry & MOs

Info

ID:

215170

PubChem CID:

85084300

Reduced:

ClPSN6O10C29H46 (1)

Stoich.:

ABCD6E10F29G46 (1)

Weight, g/mol:

700.26555

ΔHf, kcal/mol:

-486.57

Dipole, Da:

5.91

IP(EA), eV:

 -8.63(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-amino-3-[4-[[3-azido-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methoxy-(2-tert-butylsulfinylethoxy)phosphoryl]oxyphenyl]propanoate

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(OCCS(=O)C(C)(C)C)OC3=CC=C(C=C3)CC(C(=O)OC(C)(C)C)N)N=[N+]=[N-].Cl

DOS

IR

Vibrations