Geometry & MOs

Info

ID:

414338

PubChem CID:

135087294

Reduced:

O5N6C32H44 (1)

Stoich.:

A5B6C32D44 (1)

Weight, g/mol:

467.28964

ΔHf, kcal/mol:

-181.42

Dipole, Da:

7.42

IP(EA), eV:

 -8.15(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,7R,10S,13S,15R)-15-amino-3-(1H-indol-3-ylmethyl)-7-methyl-10-propan-2-yl-1,4,11-triazabicyclo[11.3.0]hexadecane-2,5,12-trione

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)N[C@H](C(=O)NCCCN1C(=O)C2=CC(=CC=C2)N(C)C)CC3=CC=CC=C3)C)C(C)C

DOS

IR

Vibrations