Geometry & MOs

Info

ID:	159193
PubChem CID:	57264357
Reduced:	FN4C18H25 (1)
Stoich.:	AB4C18D25 (1)
Weight, g/mol:	317.056923
ΔH_f, kcal/mol:	0.12
Dipole, Da:	3.68
IP(EA), eV:	-8.8(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,5R)-3-(3-ethoxy-3-oxoprop-1-enyl)-3-methyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(CCNCCN(CC1=CC=C(C=C1)F)C2=CC=CC=N2)N

DOS

IR

Vibrations