Geometry & MOs

Info

ID:

417574

PubChem CID:

135102093

Reduced:

O2N3C14H23 (1)

Stoich.:

A2B3C14D23 (1)

Weight, g/mol:

741.340749

ΔHf, kcal/mol:

-71.42

Dipole, Da:

2.78

IP(EA), eV:

 -9.3(0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S,9S,15R)-15-benzyl-3-methyl-6-(2-methylsulfanylethyl)-13-[4-oxo-4-(2,4,5-trimethoxyphenyl)butanoyl]-9-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CCC1(CC1C(=O)N(CCO)CC2=NC=CN2)CC

DOS

IR

Vibrations