Geometry & MOs

Info

ID:

160491

PubChem CID:

57309839

Reduced:

NO5C25H31 (1)

Stoich.:

AB5C25D31 (1)

Weight, g/mol:

359.159354

ΔHf, kcal/mol:

-205.1

Dipole, Da:

6.49

IP(EA), eV:

 -9.03(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[2-(1H-imidazol-2-ylmethyl)-1,4,5,6-tetrahydropyrimidin-5-yl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)OC)C2COC(=O)[C@@H]2CC3=CC=CC=C3

DOS

IR

Vibrations