Geometry & MOs

Info

ID:

388814

PubChem CID:

134990304

Reduced:

O5C23H30 (1)

Stoich.:

A5B23C30 (1)

Weight, g/mol:

760.231533

ΔHf, kcal/mol:

-227.87

Dipole, Da:

4.51

IP(EA), eV:

 -9.46(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzhydryl (6R,7R)-7-benzamido-3-[[1-[2-[(4-methylphenyl)methoxycarbonyloxy]ethyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@]12CCC3(CC1=CC[C@@H]4[C@@H]2C(=O)C[C@]\5([C@H]4CC/C5=C/C(=O)O)C)OCCO3

DOS

IR

Vibrations