Geometry & MOs

Info

ID:	308032
PubChem CID:	125311954
Reduced:	NC2H3 (5)
Stoich.:	AB2C3 (5)
Weight, g/mol:	449.162057
ΔH_f, kcal/mol:	89.25
Dipole, Da:	4.41
IP(EA), eV:	-9.6(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S,6R)-6-[[(2S)-2-(2,2-dimethylpropanoylamino)-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NN=C(C1)CNCC2=CC=NN2C

DOS

IR

Vibrations