Geometry & MOs

Info

ID:

166394

PubChem CID:

74682791

Reduced:

N2O3C25H28 (1)

Stoich.:

A2B3C25D28 (1)

Weight, g/mol:

487.012848

ΔHf, kcal/mol:

-48.13

Dipole, Da:

14.35

IP(EA), eV:

 -8.6(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

7-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4CC=CCC4C(=O)[O-]

DOS

IR

Vibrations