Geometry & MOs

Info

ID:	43724
PubChem CID:	10321699
Reduced:	NSiO3C27H39 (1)
Stoich.:	ABC3D27E39 (1)
Weight, g/mol:	453.02038
ΔH_f, kcal/mol:	-161.2
Dipole, Da:	2.36
IP(EA), eV:	-8.83(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodoethyl (2S)-3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCCC1=CC=CC=C1/C(=C/CCCCC(=O)OC)/C2=CN=CC=C2

DOS

IR

Vibrations