Geometry & MOs

Info

ID:	264817
PubChem CID:	103493136
Reduced:	INO4C11H14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	382.94213
ΔH_f, kcal/mol:	-135.49
Dipole, Da:	4.24
IP(EA), eV:	-9.61(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(4-chloro-2-hydroxybenzoyl)amino]-2-iodopropanoate

Drug info:

PubChemData

Smile

CCC1=CC=C(O1)C(=O)NCC(C(=O)OC)I

DOS

IR

Vibrations