Geometry & MOs

Info

ID:

415044

PubChem CID:

135088030

Reduced:

NOSC9H11 (2)

Stoich.:

ABCD9E11 (2)

Weight, g/mol:

613.33363

ΔHf, kcal/mol:

-27.77

Dipole, Da:

7.36

IP(EA), eV:

 -9.11(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,6S,9S,15S)-6-[(4-methoxyphenyl)methyl]-3-methyl-9-(2-methylpropyl)-15-propan-2-yl-13-[2-(tetrazol-1-yl)acetyl]-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CN1CCN([C@@H]2[C@H]1CS(=O)(=O)C2)CC3=CC=C(S3)C4=CC=CC=C4

DOS

IR

Vibrations