Geometry & MOs

Info

ID:

220129

PubChem CID:

85165276

Reduced:

F3N5O8C30H42 (1)

Stoich.:

A3B5C8D30E42 (1)

Weight, g/mol:

657.30233

ΔHf, kcal/mol:

-523.08

Dipole, Da:

9.31

IP(EA), eV:

 -9.89(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[4-amino-4-oxo-2-(quinoline-2-carbonylamino)butanoyl]amino]-1-[1-[1-(butylamino)-1-oxopropan-2-yl]tetrazol-5-yl]-3-phenylpropyl] acetate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NCC(=O)NC(CC(=O)OCC1=CC=CC=C1)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)C(F)(F)F)NC(=O)C

DOS

IR

Vibrations