Geometry & MOs

Info

ID:

146949

PubChem CID:

53776232

Reduced:

FS3N4O9C24H31 (1)

Stoich.:

AB3C4D9E24F31 (1)

Weight, g/mol:

881.12687

ΔHf, kcal/mol:

-328.73

Dipole, Da:

6.91

IP(EA), eV:

 -9.3(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S,7S)-7-[[2-[4-(carboxymethoxy)phenyl]-2-[(7,8-diacetyloxy-2-methyl-4-oxochromene-3-carbonyl)amino]acetyl]amino]-3-[[1-(carboxymethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CN(CC(=O)OC)S(=O)(=O)N1CCN([C@H](C1)C(=O)NOC2CCCCO2)S(=O)(=O)C3=CC=C(S3)C4=CC=C(C=C4)F

DOS

IR

Vibrations