Geometry & MOs

Info

ID:	43002
PubChem CID:	10317684
Reduced:	BrO4C18H21 (1)
Stoich.:	AB4C18D21 (1)
Weight, g/mol:	381.128448
ΔH_f, kcal/mol:	-161.42
Dipole, Da:	3.6
IP(EA), eV:	-9.63(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R,4R,5S)-4-acetyloxy-3-(azidomethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C1[C@H]([C@@H]([C@@H]2[C@H]1OC(=O)C2)/C=C/[C@@H](CCC3=CC=C(C=C3)Br)O)O

DOS

IR

Vibrations