Geometry & MOs

Info

ID:	185637
PubChem CID:	77323960
Reduced:	FO2N4H5C8 (1)
Stoich.:	AB2C4D5E8 (1)
Weight, g/mol:	468.204256
ΔH_f, kcal/mol:	4.42
Dipole, Da:	2.3
IP(EA), eV:	-10.97(-3.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-hydroxyethyl)-3-[5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C=CC(N1C(=O)C2=NC=NC2=NC1=O)F

DOS

IR

Vibrations