Geometry & MOs

Info

ID:	48696
PubChem CID:	11110527
Reduced:	O5H18C20 (1)
Stoich.:	A5B18C20 (1)
Weight, g/mol:	341.95154
ΔH_f, kcal/mol:	-163.02
Dipole, Da:	8.97
IP(EA), eV:	-9.05(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dioxopyrrolidin-1-yl) 4-(124I)iodanylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O)[C@@H]2[C@H]3[C@@H]([C@@H]2C(=O)O)C(=O)OC4=C3C=C(C=C4)C

DOS

IR

Vibrations