Geometry & MOs

Info

ID:

43937

PubChem CID:

10322193

Reduced:

FON4H9C11 (2)

Stoich.:

ABC4D9E11 (2)

Weight, g/mol:

464.155198

ΔHf, kcal/mol:

45.43

Dipole, Da:

6.85

IP(EA), eV:

 -8.91(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5R,6R)-6-[[(Z)-2-(2-amino-1,3-thiazol-4-yl)-4-cyclohexylbut-2-enoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1N2C=NN=N2)C3=NC4=C(O3)C=CN=C4NCC(C5=CC=CC=[N+]5[O-])(F)F

DOS

IR

Vibrations