Geometry & MOs

Info

ID:

176705

PubChem CID:

76084429

Reduced:

O12C15H22 (1)

Stoich.:

A12B15C22 (1)

Weight, g/mol:

631.271607

ΔHf, kcal/mol:

-513.61

Dipole, Da:

3.7

IP(EA), eV:

 -10.24(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzhydryl 3-[[1-(2,2-dimethylpropyl)-2-oxopyrrolidin-3-ylidene]methyl]-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CCC(=O)OCC(C1C(=O)C(C(=O)O1)OC2C(C(C(C(O2)CO)O)O)O)O

DOS

IR

Vibrations