Geometry & MOs

Info

ID:

188761

PubChem CID:

77762471

Reduced:

SN2O3C21H24 (2)

Stoich.:

AB2C3D21E24 (2)

Weight, g/mol:

650.275879

ΔHf, kcal/mol:

-151.21

Dipole, Da:

4.37

IP(EA), eV:

 -7.63(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 3-[[2-[1-(3-acetyloxy-2,2-dimethylpropyl)-7-chloro-5-(2-methylbutyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]amino]naphthalene-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN(C)C.CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN(C)C.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations