Geometry & MOs

Info

ID:	299796
PubChem CID:	117695590
Reduced:	FN4O6H35C41 (1)
Stoich.:	AB4C6D35E41 (1)
Weight, g/mol:	382.00257
ΔH_f, kcal/mol:	-139.27
Dipole, Da:	7.65
IP(EA), eV:	-9.02(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-ethylidene-5-iodopyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN=C(O3)C4=CC=C(C=C4)CN(CC(=O)O)C(=O)C5=CC=C(C=C5)NC(=O)CC6=C(C=C(C=C6)OC)CF

DOS

IR

Vibrations