Geometry & MOs

Info

ID:

416274

PubChem CID:

135089286

Reduced:

ClO3N4C21H27 (1)

Stoich.:

AB3C4D21E27 (1)

Weight, g/mol:

632.368619

ΔHf, kcal/mol:

-56.43

Dipole, Da:

5.99

IP(EA), eV:

 -8.51(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5S)-11-[[2-(4-imidazol-1-ylbutoxy)phenyl]methyl]-2-[(4-methoxyphenyl)methyl]-4,5-dimethyl-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C3=C(ON=C3NCCOC)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations