Geometry & MOs

Info

ID:

158896

PubChem CID:

57244157

Reduced:

N2C5H8 (2)

Stoich.:

A2B5C8 (2)

Weight, g/mol:

580.174018

ΔHf, kcal/mol:

58.77

Dipole, Da:

4.87

IP(EA), eV:

 -9.63(0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5R,6R)-6-[[2-[[3-(benzylideneamino)-2-oxoimidazolidine-1-carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCN1CC(N(C1(C#N)C#N)CC)C

DOS

IR

Vibrations