Geometry & MOs

Info

ID:

419185

PubChem CID:

135107686

Reduced:

N2S2O4C13H20 (1)

Stoich.:

A2B2C4D13E20 (1)

Weight, g/mol:

652.250161

ΔHf, kcal/mol:

-141.1

Dipole, Da:

5.67

IP(EA), eV:

 -8.88(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S,9S,15R)-13-(1,3-benzothiazole-6-carbonyl)-15-benzyl-3-methyl-6-(2-methylsulfanylethyl)-9-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)CC2=CSC=C2

DOS

IR

Vibrations