Geometry & MOs

Info

ID:

159679

PubChem CID:

57288618

Reduced:

NSO4C8H15 (1)

Stoich.:

ABC4D8E15 (1)

Weight, g/mol:

685.143841

ΔHf, kcal/mol:

-173.89

Dipole, Da:

5.43

IP(EA), eV:

 -10.32(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-nitrophenyl)methyl 2-[[1-(2-amino-1,3-thiazol-4-yl)-2-[[(3S)-1-[2-[(4-nitrophenyl)methoxy]-2-oxoethoxy]-2-oxoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoate

Drug info:

PubChemData

Smile

CCCC(CS(=O)(=O)O)NC(=O)C=C

DOS

IR

Vibrations