Geometry & MOs

Info

ID:	219507
PubChem CID:	85148774
Reduced:	N5O12C19H29 (1)
Stoich.:	A5B12C19D29 (1)
Weight, g/mol:	521.145769
ΔH_f, kcal/mol:	-434.89
Dipole, Da:	7.18
IP(EA), eV:	-9.95(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[1-[3-azido-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]ethoxy-[2-(methylamino)-2-oxoethyl]sulfanylphosphoryl]amino]acetate

Drug info:

PubChemData

Smile

C1=NC2C(=NC(=NC2=O)N)N1COC(COC(=O)OCCOCCO)COC(=O)OCCOCCO

DOS

IR

Vibrations