Geometry & MOs

Info

ID:

224144

PubChem CID:

85338723

Reduced:

O7N8C38H58 (1)

Stoich.:

A7B8C38D58 (1)

Weight, g/mol:

738.00446

ΔHf, kcal/mol:

-330.36

Dipole, Da:

4.43

IP(EA), eV:

 -8.73(0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

3-[3-[(7-amino-3H-[1,2,4]triazolo[1,5-c]pyrimidin-4-ium-5-yl)sulfanyl]prop-1-enyl]-7-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(C(C)C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C)C(=O)N)NC(=O)C(CCCCN)N

DOS

IR

Vibrations