Geometry & MOs

Info

ID:

214838

PubChem CID:

85083725

Reduced:

O15C29H32 (1)

Stoich.:

A15B29C32 (1)

Weight, g/mol:

620.197456

ΔHf, kcal/mol:

-600.37

Dipole, Da:

5.63

IP(EA), eV:

 -9.63(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2-dimethylpropanoyloxymethyl 7-[[4-cyclopropyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]but-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2C(C(OC(C2O)C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)OC(=O)C)O)O)CO)O)O)O)O

DOS

IR

Vibrations