Geometry & MOs

Info

ID:

423793

PubChem CID:

135120228

Reduced:

SN5O6C13H21 (1)

Stoich.:

AB5C6D13E21 (1)

Weight, g/mol:

705.348611

ΔHf, kcal/mol:

-166.63

Dipole, Da:

2.81

IP(EA), eV:

 -9.68(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NON=C1C(=O)NCC(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations