Geometry & MOs

Info

ID:

415915

PubChem CID:

135088917

Reduced:

N3O3C14H17 (2)

Stoich.:

A3B3C14D17 (2)

Weight, g/mol:

556.245248

ΔHf, kcal/mol:

-184.89

Dipole, Da:

10.05

IP(EA), eV:

 -8.53(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=O)N1)C(=O)N2CCOC3=C(C=CC(=C3)C4=NC=CN4CCNC(=O)[C@H](NC(=O)C2)C(C)C)OC

DOS

IR

Vibrations