Geometry & MOs

Info

ID:

188757

PubChem CID:

77762467

Reduced:

ClN3O8C30H32 (1)

Stoich.:

AB3C8D30E32 (1)

Weight, g/mol:

748.276273

ΔHf, kcal/mol:

-253.57

Dipole, Da:

10.41

IP(EA), eV:

 -9.47(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)NC3=CC=CC(=N3)C(=O)O)C4=C(C(=CC=C4)OC)OC)CO

DOS

IR

Vibrations