Geometry & MOs

Info

ID:

423408

PubChem CID:

135119446

Reduced:

N6O6C31H42 (1)

Stoich.:

A6B6C31D42 (1)

Weight, g/mol:

494.289306

ΔHf, kcal/mol:

-201.23

Dipole, Da:

7.47

IP(EA), eV:

 -9.38(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](CN(CC(=O)N1)C(=O)C3=CC(=NO3)C(C)C)CC4=CC=CC=C4)C(C)C

DOS

IR

Vibrations