Geometry & MOs

Info

ID:

418679

PubChem CID:

135106542

Reduced:

N3O3C18H23 (2)

Stoich.:

A3B3C18D23 (2)

Weight, g/mol:

541.290034

ΔHf, kcal/mol:

-214.09

Dipole, Da:

6.99

IP(EA), eV:

 -8.96(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)C(=O)C3=CC=NC4=CC=CC=C34)C(C)C

DOS

IR

Vibrations