Geometry & MOs

Info

ID:	12231
PubChem CID:	133154
Reduced:	IN2O7C18H21 (1)
Stoich.:	AB2C7D18E21 (1)
Weight, g/mol:	504.03935
ΔH_f, kcal/mol:	-248.71
Dipole, Da:	4.14
IP(EA), eV:	-9.12(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dioxopyrrolidin-1-yl) (2S)-3-(4-hydroxy-3-iodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CC(=C(C=C1)O)I)C(=O)ON2C(=O)CCC2=O

DOS

IR

Vibrations