Geometry & MOs

Info

ID:

173363

PubChem CID:

75627800

Reduced:

NO5H39C45 (1)

Stoich.:

AB5C39D45 (1)

Weight, g/mol:

547.150362

ΔHf, kcal/mol:

-77.23

Dipole, Da:

4.94

IP(EA), eV:

 -8.88(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[2-[[2-amino-4-(methylamino)-4-oxobutanoyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydrate;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC2=CC=C(C=C2)COC(=O)C(CC3=CC=C(C=C3)C4=CC=CC=C4)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57

DOS

IR

Vibrations