Geometry & MOs

Info

ID:

177080

PubChem CID:

76133075

Reduced:

N4O7C36H62 (1)

Stoich.:

A4B7C36D62 (1)

Weight, g/mol:

687.062437

ΔHf, kcal/mol:

-381.54

Dipole, Da:

4.91

IP(EA), eV:

 -9.91(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(2-amino-1,3-thiazol-4-yl)-2-[carboxy-(3,4-dihydroxyphenyl)methoxy]iminoacetyl]amino]-3-(4,6-diaminopyrimidin-2-yl)-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCC(CCC)NC(=O)OC1CCCCN1C(=O)OCC(COC(=O)NCC2=CC=CC=N2)OC

DOS

IR

Vibrations