Geometry & MOs

Info

ID:

218578

PubChem CID:

85089640

Reduced:

N3O5C27H35 (1)

Stoich.:

A3B5C27D35 (1)

Weight, g/mol:

481.145361

ΔHf, kcal/mol:

-91.94

Dipole, Da:

6.42

IP(EA), eV:

 -8.22(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[4-(2-amino-1,3-thiazol-4-yl)-3-methyl-2-[(2-methylpropan-2-yl)oxyimino]but-3-enoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(=C2)C(=O)OCCCCCCCO[N+](=O)[O-]

DOS

IR

Vibrations