Geometry & MOs

Info

ID:

397671

PubChem CID:

135030550

Reduced:

NO2S2H19C22 (1)

Stoich.:

AB2C2D19E22 (1)

Weight, g/mol:

599.345818

ΔHf, kcal/mol:

-0.03

Dipole, Da:

6.18

IP(EA), eV:

 -8.18(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R,3S,4R,5S,6S,7R,9R,10R,11S,12S,13R)-2-ethyl-3,4,9,10,12-pentahydroxy-3,5,7,9,11,13-hexamethyl-14-oxo-oxacyclotetradec-6-yl]-4-phenylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations