Geometry & MOs

Info

ID:

218189

PubChem CID:

85089007

Reduced:

O2N3C28H29 (1)

Stoich.:

A2B3C28D29 (1)

Weight, g/mol:

437.198442

ΔHf, kcal/mol:

3.57

Dipole, Da:

5.79

IP(EA), eV:

 -9.33(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(3,3-dimethyl-1-oxo-2-propyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-6-yl)sulfanyl]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)CC=CCNC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations