Geometry & MOs

Info

ID:	403863
PubChem CID:	135062219
Reduced:	BSiO3C24H33 (1)
Stoich.:	ABC3D24E33 (1)
Weight, g/mol:	472.06676
ΔH_f, kcal/mol:	-196.5
Dipole, Da:	1.94
IP(EA), eV:	-8.09(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-[[(2R,3S)-2-bromo-3-[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]butanoyl]amino]-3-methylsulfanylpropanoate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C(=CC2=CC=C(C=C2)OC)C[Si](C)(C)C3=CC=CC=C3

DOS

IR

Vibrations