Geometry & MOs

Info

ID:

420350

PubChem CID:

135112667

Reduced:

FSN2O4C16H23 (1)

Stoich.:

ABC2D4E16F23 (1)

Weight, g/mol:

676.304304

ΔHf, kcal/mol:

-204.42

Dipole, Da:

7.5

IP(EA), eV:

 -9.5(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S,9S,15R)-15-benzyl-13-(4-methoxyquinoline-2-carbonyl)-3-methyl-6-(2-methylsulfanylethyl)-9-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)CC(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations