Geometry & MOs

Info

ID:	186806
PubChem CID:	77487831
Reduced:	ClFO2N6H20C21 (1)
Stoich.:	ABC2D6E20F21 (1)
Weight, g/mol:	370.06411
ΔH_f, kcal/mol:	-27.74
Dipole, Da:	9.18
IP(EA), eV:	-8.53(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(2-iodoethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-2-ene-1,5-diol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)Cl)NC2=NC3=C(C=NN3C(=C2)NC4CC4)C=C5CC(NC5=O)O

DOS

IR

Vibrations