Geometry & MOs

Info

ID:

220124

PubChem CID:

85165270

Reduced:

SO6C38H70 (1)

Stoich.:

AB6C38D70 (1)

Weight, g/mol:

654.07696

ΔHf, kcal/mol:

-396.02

Dipole, Da:

7.59

IP(EA), eV:

 -9.29(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-methoxyphenyl)methoxycarbonyl 7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethoxyimino)acetyl]amino]-3-(3-chloroprop-1-enyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OCC(CSC=CC(=O)O)OC(=O)CCCCCCCCCCCCCCC

DOS

IR

Vibrations