Geometry & MOs

Info

ID:	17248
PubChem CID:	490427
Reduced:	IN2O4C11H13 (1)
Stoich.:	AB2C4D11E13 (1)
Weight, g/mol:	363.992
ΔH_f, kcal/mol:	-133.04
Dipole, Da:	2.97
IP(EA), eV:	-9.67(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S,4S,5S)-4-hydroxy-5-(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]-5-iodopyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1[C@@H](C2C[C@@]2([C@H]1O)CO)N3C=C(C(=O)NC3=O)I

DOS

IR

Vibrations