Geometry & MOs

Info

ID:

159676

PubChem CID:

57288615

Reduced:

ClNO3C29H42 (1)

Stoich.:

ABC3D29E42 (1)

Weight, g/mol:

689.061289

ΔHf, kcal/mol:

-153.71

Dipole, Da:

6.3

IP(EA), eV:

 -8.89(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R)-3-[[2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-[2-methyl-1-[(4-nitrophenyl)methoxy]-1-oxopropan-2-yl]oxyiminoacetyl]amino]-2-(methylcarbamoyl)-4-oxoazetidine-1-sulfonic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)OC(CC)OC2=CC=CC=C2Cl

DOS

IR

Vibrations