Geometry & MOs

Info

ID:

151433

PubChem CID:

53801270

Reduced:

NO3C25H35 (1)

Stoich.:

AB3C25D35 (1)

Weight, g/mol:

639.167536

ΔHf, kcal/mol:

-78.35

Dipole, Da:

0.73

IP(EA), eV:

 -8.14(0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[[2-[[4-(3-oxo-3-phenylprop-1-enyl)benzoyl]amino]-2-phenylacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](CN(C)CC1(CCC1)C2=CC(=C(C=C2)OC)OC)COCC3=CC=CC=C3

DOS

IR

Vibrations