Geometry & MOs

Info

ID:

190931

PubChem CID:

78079477

Reduced:

N3S3O5C23H29 (1)

Stoich.:

A3B3C5D23E29 (1)

Weight, g/mol:

568.215591

ΔHf, kcal/mol:

-166.04

Dipole, Da:

5.31

IP(EA), eV:

 -8.69(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-(furan-3-yl)-7-hydroxy-2,10-dimethyl-6-oxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,13-dioxatetracyclo[8.5.0.02,7.012,14]pentadecane-11-carboxylate

Drug info:

PubChemData

Smile

CS(=O)(=O)N(C1CCC2C(C1)C(=O)N(C(N2)SCC3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)C

DOS

IR

Vibrations