Geometry & MOs

Info

ID:

327690

PubChem CID:

126690752

Reduced:

NO7H19C24 (1)

Stoich.:

AB7C19D24 (1)

Weight, g/mol:

706.126705

ΔHf, kcal/mol:

-212.9

Dipole, Da:

14.44

IP(EA), eV:

 -8.9(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,8R)-3-[[4-chloro-2-(6-chloro-4-oxo-1H-quinazolin-2-yl)phenoxy]methyl]-8-[[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]methyl]-9-oxo-6-thia-1-azatricyclo[5.2.0.02,4]nonane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)OC(=O)NC1=CC(=C(C=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O

DOS

IR

Vibrations