Geometry & MOs

Info

ID:

416136

PubChem CID:

135089144

Reduced:

O2N7C19H27 (1)

Stoich.:

A2B7C19D27 (1)

Weight, g/mol:

677.310787

ΔHf, kcal/mol:

-17.43

Dipole, Da:

3.36

IP(EA), eV:

 -8.71(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)CN3CCN(CC3)C4=NC=CC=N4

DOS

IR

Vibrations