Geometry & MOs

Info

ID:

159166

PubChem CID:

57264280

Reduced:

NO3C27H29 (1)

Stoich.:

AB3C27D29 (1)

Weight, g/mol:

563.146818

ΔHf, kcal/mol:

-88.1

Dipole, Da:

4.98

IP(EA), eV:

 -8.67(0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-[2-methyl-1-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-1-oxopropan-2-yl]oxyiminoacetyl]amino]-2-methyl-4-oxoazetidine-1-sulfonic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NCC2=CC=CC=C2C(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O

DOS

IR

Vibrations