Geometry & MOs

Info

ID:	308300
PubChem CID:	125326032
Reduced:	ClFN3O3S3H11C18 (1)
Stoich.:	ABC3D3E3F11G18 (1)
Weight, g/mol:	429.06874
ΔH_f, kcal/mol:	-27.52
Dipole, Da:	2.48
IP(EA), eV:	-8.92(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R,4S,5S)-3,4-diacetyloxy-2-azido-5-(4-chloro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(S2)C(=O)N=C3N=N[C@@H](S3)S(=O)(=O)CC4=CC=C(C=C4)F)Cl

DOS

IR

Vibrations