Geometry & MOs

Info

ID:

315931

PubChem CID:

126629460

Reduced:

FN2O2C26H29 (1)

Stoich.:

AB2C2D26E29 (1)

Weight, g/mol:

609.316249

ΔHf, kcal/mol:

-89.92

Dipole, Da:

4.09

IP(EA), eV:

 -9.01(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-1-[(2S)-2-[[(2S)-2-[[(E,2R)-2-[(1S)-1-acetyloxyethyl]-4-(2-ethylquinolin-7-yl)but-3-enoyl]amino]-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C(N=CC=C1)C2=CC(=C(C=C2)OCC(C)C)C(=O)NCC3=CC(=C(C=C3)C)F

DOS

IR

Vibrations