Geometry & MOs

Info

ID:

44605

PubChem CID:

10504344

Reduced:

SiO4C27H48 (1)

Stoich.:

AB4C27D48 (1)

Weight, g/mol:

464.030581

ΔHf, kcal/mol:

-272.29

Dipole, Da:

3.03

IP(EA), eV:

 -8.8(0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R,7R)-7-[[4-chloro-6-(2-nitrophenoxy)-1,3,5-triazin-2-yl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]2[C@@H]([C@H]1OC)C[C@@]([C@H](C[C@@H]3[C@](C2=O)(C=CC3(C)C)C)O[Si](C)(C)C(C)(C)C)(C)O

DOS

IR

Vibrations