Geometry & MOs

Info

ID:	17689
PubChem CID:	512165
Reduced:	IN2O4C12H15 (1)
Stoich.:	AB2C4D12E15 (1)
Weight, g/mol:	378.00765
ΔH_f, kcal/mol:	-126.33
Dipole, Da:	6.99
IP(EA), eV:	-9.09(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]-5-(2-iodoethenyl)pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1[C@H]([C@@]1(CN2C=C(C(=O)NC2=O)C=CI)CO)CO

DOS

IR

Vibrations