Geometry & MOs

Info

ID:

419514

PubChem CID:

135108334

Reduced:

ON5C22H27 (1)

Stoich.:

AB5C22D27 (1)

Weight, g/mol:

676.358448

ΔHf, kcal/mol:

14.5

Dipole, Da:

3.97

IP(EA), eV:

 -8.76(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(=O)C)NC2C3CN4CCN(C3)CC2(C4)C5=CC=CC=C5

DOS

IR

Vibrations