Geometry & MOs

Info

ID:

327757

PubChem CID:

126690983

Reduced:

NO6C9H13 (1)

Stoich.:

AB6C9D13 (1)

Weight, g/mol:

718.126705

ΔHf, kcal/mol:

-251.44

Dipole, Da:

6.02

IP(EA), eV:

 -9.33(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C(=C(\C)/O)/CC(C(=O)O)(C(=O)O)NC=O

DOS

IR

Vibrations