Geometry & MOs

Info

ID:	62471
PubChem CID:	26719766
Reduced:	FN2O4H17C23 (1)
Stoich.:	AB2C4D17E23 (1)
Weight, g/mol:	343.079076
ΔH_f, kcal/mol:	-123.45
Dipole, Da:	4.79
IP(EA), eV:	-8.67(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluorophenyl)-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations