Geometry & MOs

Info

ID:

185730

PubChem CID:

77341383

Reduced:

SN3O7C38H39 (1)

Stoich.:

AB3C7D38E39 (1)

Weight, g/mol:

767.287651

ΔHf, kcal/mol:

-196.9

Dipole, Da:

3.71

IP(EA), eV:

 -8.74(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1C2N(C1=O)C(=C(CS2)C(=C3CCNC3=O)CC4=CC(=CC=C4)OC)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations