Geometry & MOs

Info

ID:

220076

PubChem CID:

85165214

Reduced:

BrN4O5C30H33 (1)

Stoich.:

AB4C5D30E33 (1)

Weight, g/mol:

644.999558

ΔHf, kcal/mol:

-145.46

Dipole, Da:

2.63

IP(EA), eV:

 -9.43(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-[3-[(2-azaniumyl-2-carboxyethyl)sulfanylmethyl]pyridin-4-yl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

C1CC(CCC1CN)C(=O)NC(CC2=CC=C(C=C2)OC(=O)OCC3=CC=CC=C3Br)C(=O)NC4=CC=NC=C4

DOS

IR

Vibrations