Geometry & MOs

Info

ID:

188758

PubChem CID:

77762468

Reduced:

ClN2O10C40H45 (1)

Stoich.:

AB2C10D40E45 (1)

Weight, g/mol:

636.187458

ΔHf, kcal/mol:

-355.38

Dipole, Da:

9.92

IP(EA), eV:

 -8.67(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[2-[7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]amino]-1-benzofuran-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1=C2C(=CC(=C1)NC(=O)CC3C(=O)N(C4=C(C=C(C=C4)Cl)C(O3)C5=C(C(=CC=C5)OC)OC)CC(C)(C)COC(=O)C)C=C(O2)C(=O)OCC

DOS

IR

Vibrations