Geometry & MOs

Info

ID:

44535

PubChem CID:

10503935

Reduced:

BrN2O2C24H27 (1)

Stoich.:

AB2C2D24E27 (1)

Weight, g/mol:

455.16389

ΔHf, kcal/mol:

-19.19

Dipole, Da:

6.42

IP(EA), eV:

 -8.04(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]amino]-4-oxobutanoate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N(C=C2CCNC(=O)C3CC3)CCCC4=CC=CC=C4Br

DOS

IR

Vibrations