Geometry & MOs

Info

ID:

47368

PubChem CID:

10531947

Reduced:

N5O6C34H47 (1)

Stoich.:

A5B6C34D47 (1)

Weight, g/mol:

622.384269

ΔHf, kcal/mol:

-247.79

Dipole, Da:

10.8

IP(EA), eV:

 -8.72(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2R)-2-[[(2R)-3-(2-cyano-1H-indol-3-yl)-2-[[(2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4,4-dimethylpentanoyl]amino]propanoyl]amino]hexanoate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@H]1C(=O)N2CCCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C3=CN(C4=CC=CC=C4C3=O)C)CCCCCC(=O)CC

DOS

IR

Vibrations