Geometry & MOs

Info

ID:	37947
PubChem CID:	8025777
Reduced:	N4O5H20C21 (1)
Stoich.:	A4B5C20D21 (1)
Weight, g/mol:	344.063092
ΔH_f, kcal/mol:	-120.79
Dipole, Da:	4.64
IP(EA), eV:	-8.53(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)methyl 2-fluorobenzoate

Drug info:

PubChemData

Smile

CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)C3=NNC(=O)C4=CC=CC=C43

DOS

IR

Vibrations