Geometry & MOs

Info

ID:

147851

PubChem CID:

53787509

Reduced:

SO6C30H34 (1)

Stoich.:

AB6C30D34 (1)

Weight, g/mol:

542.995518

ΔHf, kcal/mol:

-202.45

Dipole, Da:

3.42

IP(EA), eV:

 -9.14(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2-acetyloxyethylsulfanyl)-3-[[2-[[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]methoxyimino]acetyl]amino]-4-oxoazetidine-1-sulfonic acid

Drug info:

PubChemData

Smile

CC(=O)[C@]1([C@H](O[C@@H]([C@@]([C@]1(CC2=CC=CC=C2)O)(CC3=CC=CC=C3)O)C(CC4=CC=CC=C4)O)SC)O

DOS

IR

Vibrations