Geometry & MOs

Info

ID:

179584

PubChem CID:

76504005

Reduced:

O3N5C29H41 (1)

Stoich.:

A3B5C29D41 (1)

Weight, g/mol:

622.314869

ΔHf, kcal/mol:

-106.6

Dipole, Da:

8.97

IP(EA), eV:

 -8.52(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(5-amino-1,2,4-oxadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-(hexadecoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=O)NC(CC4CCCCC4)CO

DOS

IR

Vibrations