Geometry & MOs

Info

ID:	324127
PubChem CID:	126676972
Reduced:	ClPN3O8C21H27 (1)
Stoich.:	ABC3D8E21F27 (1)
Weight, g/mol:	257.95416
ΔH_f, kcal/mol:	-402.37
Dipole, Da:	1.7
IP(EA), eV:	-9.66(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-iodo-2H-chromene

Drug info:

PubChemData

Smile

C[C@H](C(=O)OC(C)C)NP(=O)(OC[C@@H]1C[C@@H]([C@@H](O1)N2C=CC(=O)NC2=O)Cl)OC3=CC=CC=C3

DOS

IR

Vibrations