Geometry & MOs

Info

ID:

176673

PubChem CID:

76081748

Reduced:

N3O4C19H23 (1)

Stoich.:

A3B4C19D23 (1)

Weight, g/mol:

515.08075

ΔHf, kcal/mol:

-147.17

Dipole, Da:

5.11

IP(EA), eV:

 -8.96(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

7-[[2-(2-amino-1,3-oxazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(thieno[3,2-b]pyridin-4-ium-4-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1N2C=CC(=C2)CO)C)N3CC(OC3=O)CNC(=O)C

DOS

IR

Vibrations