Geometry & MOs

Info

ID:	44332
PubChem CID:	10502792
Reduced:	BrON6C19H23 (1)
Stoich.:	ABC6D19E23 (1)
Weight, g/mol:	431.131833
ΔH_f, kcal/mol:	24.02
Dipole, Da:	2.84
IP(EA), eV:	-8.44(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]phosphonamidic acid

Drug info:

PubChemData

Smile

CC(C)N1C=NC2=C(N=C(N=C21)N3CCC[C@@H]3CO)NC4=CC=C(C=C4)Br

DOS

IR

Vibrations