Geometry & MOs

Info

ID:

16600

PubChem CID:

473586

Reduced:

O2N3C17H27 (2)

Stoich.:

A2B3C17D27 (2)

Weight, g/mol:

610.420654

ΔHf, kcal/mol:

-197.31

Dipole, Da:

4.82

IP(EA), eV:

 -8.99(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-6-amino-N-(2-cyclohexylethyl)-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[4-[4-(2-methylimidazol-1-yl)butyl]phenyl]propanoyl]amino]propanoyl]amino]hexanamide

Drug info:

PubChemData

Smile

CC1=NC=CN1CCCCC2=CC=C(C=C2)[C@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC3CCCCC3

DOS

IR

Vibrations