Geometry & MOs

Info

ID:	391066
PubChem CID:	135002588
Reduced:	OSiC12H22 (2)
Stoich.:	ABC12D22 (2)
Weight, g/mol:	383.205636
ΔH_f, kcal/mol:	-201.25
Dipole, Da:	1.27
IP(EA), eV:	-8.74(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E,4S)-2-cyano-4-[(2-methylpropan-2-yl)oxycarbonyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]hex-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCC1=CCC[C@]2([C@@H]1C=CC=C2)CO[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations