Geometry & MOs

Info

ID:

382657

PubChem CID:

134973936

Reduced:

NO6C29H31 (1)

Stoich.:

AB6C29D31 (1)

Weight, g/mol:

684.366628

ΔHf, kcal/mol:

-160.64

Dipole, Da:

4.23

IP(EA), eV:

 -8.41(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (E,2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[(4-methoxyphenyl)methoxy]-3-methyl-2-[(2R)-2-methyl-4-trimethylsilylbut-3-ynyl]hex-4-enoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCN2C(=O)C(=C(C2(OC)OC)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC

DOS

IR

Vibrations