Geometry & MOs

Info

ID:

214918

PubChem CID:

85083848

Reduced:

FSO5N6C32H41 (1)

Stoich.:

ABC5D6E32F41 (1)

Weight, g/mol:

638.25564

ΔHf, kcal/mol:

-202.64

Dipole, Da:

2.2

IP(EA), eV:

 -8.58(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-[2-(2-aminotetradecanoylamino)-1,3-thiazol-4-yl]acetyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(=S)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)CCC(=O)C4=CC=C(C=C4)CNC(=O)CN(C)C)F

DOS

IR

Vibrations