Geometry & MOs

Info

ID:	229954
PubChem CID:	87569634
Reduced:	SiO3C6H14 (1)
Stoich.:	AB3C6D14 (1)
Weight, g/mol:	595.362136
ΔH_f, kcal/mol:	-206.89
Dipole, Da:	2.37
IP(EA), eV:	-10.19(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2S,3S,5S)-3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]amino]-4-[1-(4-methylphenyl)propan-2-ylamino]cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CO[Si](C)(OC)OCC=C

DOS

IR

Vibrations