Geometry & MOs

Info

ID:

415546

PubChem CID:

135088542

Reduced:

N2O3C21H26 (1)

Stoich.:

A2B3C21D26 (1)

Weight, g/mol:

591.287926

ΔHf, kcal/mol:

-112.48

Dipole, Da:

6.61

IP(EA), eV:

 -9.44(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5S)-2-[(4-methoxyphenyl)methyl]-4,5-dimethyl-11-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

C1CC(CCC1C(=O)N2C[C@H]([C@@H](C2)O)CC3=CC=NC4=CC=CC=C34)O

DOS

IR

Vibrations