Geometry & MOs

Info

ID:

32176

PubChem CID:

6435754

Reduced:

SN3O3H6C8 (2)

Stoich.:

AB3C3D6E8 (2)

Weight, g/mol:

803.481977

ΔHf, kcal/mol:

-47.85

Dipole, Da:

6.03

IP(EA), eV:

 -9.52(-1.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,9S,12S,13S,14R,17R,18Z,21R,23R,24R,25R,27R)-1,14-dihydroxy-12-[(Z)-1-[(3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=N\NC(=O)C(=O)NS(=O)(=O)C2=CC3=C(C=C2)N=C(S3)N)[N+](=O)[O-]

DOS

IR

Vibrations