Geometry & MOs

Info

ID:

436105

PubChem CID:

135193844

Reduced:

NO6C13H23 (1)

Stoich.:

AB6C13D23 (1)

Weight, g/mol:

685.276812

ΔHf, kcal/mol:

-305.72

Dipole, Da:

1.27

IP(EA), eV:

 -9.85(0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-4,5-diacetyloxy-6-[4-(hydroxymethyl)-2-[[2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-yl]carbamoyl]phenoxy]-3-methylsulfinyloxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C[C@@H](CC(=O)OC)C(=O)OCCNC(=O)OC(C)(C)C

DOS

IR

Vibrations