Geometry & MOs

Info

ID:

221670

PubChem CID:

85285866

Reduced:

SN2O10C27H34 (1)

Stoich.:

AB2C10D27E34 (1)

Weight, g/mol:

578.316308

ΔHf, kcal/mol:

-359.73

Dipole, Da:

3.35

IP(EA), eV:

 -8.72(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[1-[[2-[(6-amino-6-oxohexyl)amino]-2-oxoethyl]-[2-(3,4,5-trihydroxy-6-methyloxan-2-yl)ethyl]amino]-3,4-dihydroxybutan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC1(OC2C(N(S(=O)(=O)N(C(C2O1)COC3=CC=CC=C3)CC(=O)OC)CC(=O)OC)COC4=CC=CC=C4)C

DOS

IR

Vibrations