Geometry & MOs

Info

ID:

146281

PubChem CID:

53664420

Reduced:

N3O3C13H19 (3)

Stoich.:

A3B3C13D19 (3)

Weight, g/mol:

570.28422

ΔHf, kcal/mol:

-393.54

Dipole, Da:

12.85

IP(EA), eV:

 -8.98(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[(3R,5R,7R)-1-[2-(tert-butylamino)-2-oxoethyl]-5-(2-methylphenyl)-2-oxo-7-phenylazepan-3-yl]-carbamoylamino]benzoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CC1=CN=CN1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)O)N

DOS

IR

Vibrations