Geometry & MOs

Info

ID:

417841

PubChem CID:

135102900

Reduced:

SN2O5C19H26 (1)

Stoich.:

AB2C5D19E26 (1)

Weight, g/mol:

683.343132

ΔHf, kcal/mol:

-203.78

Dipole, Da:

7.97

IP(EA), eV:

 -8.93(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6R,9S,12S,18R)-12-benzyl-3,9,10-trimethyl-18-phenyl-6-propan-2-yl-16-(pyridine-3-carbonyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14-pentone

Drug info:

PubChemData

Smile

CC(=O)N1CCOC2=C1C=C(C=C2)S(=O)(=O)N3CCC[C@]4(C3)CCC[C@H]4O

DOS

IR

Vibrations