Geometry & MOs

Info

ID:

418997

PubChem CID:

135107291

Reduced:

SN3O4C19H25 (1)

Stoich.:

AB3C4D19E25 (1)

Weight, g/mol:

683.310118

ΔHf, kcal/mol:

-160.63

Dipole, Da:

4.97

IP(EA), eV:

 -9.2(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S,9R,15S)-3-benzyl-13-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-15-ethyl-9-methyl-6-(2-methylpropyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CCCN1C(=O)C(NC1=O)CC(=O)N2CCC3(CC2)C4=C(CCO3)C=CS4

DOS

IR

Vibrations