Geometry & MOs

Info

ID:

388797

PubChem CID:

134990248

Reduced:

SN6O9H40C46 (1)

Stoich.:

AB6C9D40E46 (1)

Weight, g/mol:

594.149444

ΔHf, kcal/mol:

-119.32

Dipole, Da:

7.03

IP(EA), eV:

 -9.29(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl (2S,5R,6S)-6-methoxy-3,3-dimethyl-7-oxo-6-[(3-oxo-3-phenylmethoxy-2-thiophen-3-ylpropanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)C(C4=CC=C(C=C4)O)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6)OC)OC2)C(=O)OC(C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations