Geometry & MOs

Info

ID:

418348

PubChem CID:

135104242

Reduced:

OF2N4C21H26 (1)

Stoich.:

AB2C4D21E26 (1)

Weight, g/mol:

714.321097

ΔHf, kcal/mol:

-73.01

Dipole, Da:

2.62

IP(EA), eV:

 -8.61(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S,9S,12R,18R)-18-benzyl-16-(3-fluoro-4-methoxybenzoyl)-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

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)CC4=C(C=CC(=C4F)F)OC

DOS

IR

Vibrations