Geometry & MOs

Info

ID:

423744

PubChem CID:

135120146

Reduced:

N2O2C25H30 (1)

Stoich.:

A2B2C25D30 (1)

Weight, g/mol:

541.290034

ΔHf, kcal/mol:

-71.88

Dipole, Da:

1.96

IP(EA), eV:

 -9.25(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5S)-11-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-2-[(4-methoxyphenyl)methyl]-4,5-dimethyl-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N(C)[C@@H]3C[C@@H]4CC(=O)NC[C@@H]4C3

DOS

IR

Vibrations