Geometry & MOs

Info

ID:	151141
PubChem CID:	53790839
Reduced:	N4H16C17 (1)
Stoich.:	A4B16C17 (1)
Weight, g/mol:	578.302573
ΔH_f, kcal/mol:	85.74
Dipole, Da:	8.5
IP(EA), eV:	-9.09(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R,6R)-6-[(S)-hexadecanoyloxy(pyridin-4-yl)methyl]-3,3-dimethyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)CNC3=NC=NC4=C3C=CC=N4

DOS

IR

Vibrations