Geometry & MOs

Info

ID:	406268
PubChem CID:	135077096
Reduced:	IN2O9C16H19 (1)
Stoich.:	AB2C9D16E19 (1)
Weight, g/mol:	506.09138
ΔH_f, kcal/mol:	-373.2
Dipole, Da:	5.44
IP(EA), eV:	-9.64(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-3-(3-iodo-4-methoxyphenyl)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1C(C([C@@H](O1)N2C=C(C(=O)N(C2=O)C)I)OC(=O)C)OC(=O)C

DOS

IR

Vibrations