Geometry & MOs

Info

ID:	43353
PubChem CID:	10321167
Reduced:	BrON2H19C25 (1)
Stoich.:	ABC2D19E25 (1)
Weight, g/mol:	443.117609
ΔH_f, kcal/mol:	53.02
Dipole, Da:	5.37
IP(EA), eV:	-8.69(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(2-nitroimidazol-1-yl)oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2NC3=CC4=CC=CC=C4C=C3C(=O)N2C5=CC=C(C=C5)Br

DOS

IR

Vibrations