Geometry & MOs

Info

ID:

416145

PubChem CID:

135089153

Reduced:

NSCl2O6C13H15 (1)

Stoich.:

ABC2D6E13F15 (1)

Weight, g/mol:

764.252574

ΔHf, kcal/mol:

-245.55

Dipole, Da:

9.3

IP(EA), eV:

 -9.98(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S,9S,12R,18R)-18-benzyl-16-[2-(3,4-dichlorophenoxy)acetyl]-3,12-dimethyl-6-(2-methylsulfanylethyl)-9-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14-pentone

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1Cl)Cl)S(=O)(=O)N2CC[C@H]([C@H](C2)C(=O)O)O

DOS

IR

Vibrations