Geometry & MOs

Info

ID:	264819
PubChem CID:	103493338
Reduced:	INO3C9H14 (1)
Stoich.:	ABC3D9E14 (1)
Weight, g/mol:	396.95778
ΔH_f, kcal/mol:	-117.94
Dipole, Da:	2.62
IP(EA), eV:	-10.15(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-(4-chlorophenoxy)acetyl]amino]-2-iodopropanoate

Drug info:

PubChemData

Smile

COC(=O)C(CNC(=O)C1CCC1)I

DOS

IR

Vibrations