Geometry & MOs

Info

ID:

47358

PubChem CID:

10531848

Reduced:

NO5C16H21 (2)

Stoich.:

AB5C16D21 (2)

Weight, g/mol:

614.306366

ΔHf, kcal/mol:

-421.46

Dipole, Da:

5.29

IP(EA), eV:

 -9.7(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,5S)-4-but-3-enyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxyoxolan-2-one

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)OC)CC[C@@H](CC[C@@H](C(=O)OC)NC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)C

DOS

IR

Vibrations