Geometry & MOs

Info

ID:	176788
PubChem CID:	76099691
Reduced:	NO3C7H7 (2)
Stoich.:	AB3C7D7 (2)
Weight, g/mol:	629.08703
ΔH_f, kcal/mol:	-220.09
Dipole, Da:	5.13
IP(EA), eV:	-9.13(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-acetyloxy-5-[5-iodo-2-oxo-4-(3-phenylmethoxypropoxycarbonylamino)pyrimidin-1-yl]-2-methyloxolan-3-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)C1C(N(C(=O)NC1=O)C2=CC=C(C=C2)OC)C(=O)O

DOS

IR

Vibrations