Geometry & MOs

Info

ID:

178764

PubChem CID:

76378182

Reduced:

NO5C10H21 (1)

Stoich.:

AB5C10D21 (1)

Weight, g/mol:

748.146877

ΔHf, kcal/mol:

-245.82

Dipole, Da:

1.87

IP(EA), eV:

 -9.04(0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-formamido-3,3-dimethyl-2-[[2-[(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(4-phenylmethoxycarbonyloxyphenyl)acetyl]amino]-4,7-dioxo-4lambda4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CNCC1C(C(C(C(O1)O)O)O)O

DOS

IR

Vibrations