Geometry & MOs

Info

ID:	62498
PubChem CID:	26719805
Reduced:	FSN2O2H13C17 (1)
Stoich.:	ABC2D2E13F17 (1)
Weight, g/mol:	371.110376
ΔH_f, kcal/mol:	-39.1
Dipole, Da:	4.96
IP(EA), eV:	-9.08(-0.9)
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[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)NC(=O)C2=CC=C(C=C2)OCC3=CSC=N3

DOS

IR

Vibrations