Geometry & MOs

Info

ID:	43141
PubChem CID:	10318908
Reduced:	BrNSO3C17H24 (1)
Stoich.:	ABCD3E17F24 (1)
Weight, g/mol:	402.127445
ΔH_f, kcal/mol:	-138.86
Dipole, Da:	5.06
IP(EA), eV:	-9.48(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-acetyloxy-2-[(1R,2R)-2-acetyloxy-1-(2,4-dioxopyrimidin-1-yl)-3-hydroxypropoxy]propyl] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C[C@H]2[C@H](CN(C2=O)C(C)(C)C)CBr

DOS

IR

Vibrations