Geometry & MOs

Info

ID:

188756

PubChem CID:

77762339

Reduced:

N3O5C28H35 (1)

Stoich.:

A3B5C28D35 (1)

Weight, g/mol:

597.187793

ΔHf, kcal/mol:

-145.81

Dipole, Da:

9.46

IP(EA), eV:

 -9.22(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[2-[7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]amino]pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CN(C(CC1=CC=CC=C1)C(=O)N2CCN(CC2)CCCOC3=CC=C(C=C3)C(=O)C4CC4)C(=O)O

DOS

IR

Vibrations