Geometry & MOs

Info

ID:

82950

PubChem CID:

49856866

Reduced:

SN2O4C16H30 (1)

Stoich.:

AB2C4D16E30 (1)

Weight, g/mol:

442.293054

ΔHf, kcal/mol:

-223.77

Dipole, Da:

4.89

IP(EA), eV:

 -8.96(0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(4S,6S)-6-[[(4S,6S)-6-[[(4R,6R)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethanol

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)OC(C)(C)C)NC(=O)[C@H](CCSC)NC=O

DOS

IR

Vibrations