Geometry & MOs

Info

ID:

417274

PubChem CID:

135091901

Reduced:

O2N3C20H25 (1)

Stoich.:

A2B3C20D25 (1)

Weight, g/mol:

563.277755

ΔHf, kcal/mol:

-77.94

Dipole, Da:

5.85

IP(EA), eV:

 -8.48(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S,9S,15R)-15-benzyl-13-(2-methoxyacetyl)-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(NC2=C1C=C(C=C2)C(=O)N(C)[C@@H]3C[C@@H]4CC(=O)NC[C@@H]4C3)C

DOS

IR

Vibrations