Geometry & MOs

Info

ID:	303488
PubChem CID:	124489810
Reduced:	INO4C15H20 (1)
Stoich.:	ABC4D15E20 (1)
Weight, g/mol:	405.0437
ΔH_f, kcal/mol:	-166.93
Dipole, Da:	7.66
IP(EA), eV:	-9.15(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-amino-4-(4-iodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations