Geometry & MOs

Info

ID:

302074

PubChem CID:

124349210

Reduced:

SO3N4C19H20 (1)

Stoich.:

AB3C4D19E20 (1)

Weight, g/mol:

695.197808

ΔHf, kcal/mol:

-66.8

Dipole, Da:

0.69

IP(EA), eV:

 -9.46(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S)-1-cyclohexyloxycarbonyloxyethyl] (6S,7S)-7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)CN1C(=O)C2=CC=CC=C2N3[C@@]1(CCC3=O)C(=O)NC4=NC=CS4

DOS

IR

Vibrations