Geometry & MOs

Info

ID:	274672
PubChem CID:	103810952
Reduced:	ClSN2O3C12H15 (1)
Stoich.:	ABC2D3E12F15 (1)
Weight, g/mol:	286.078742
ΔH_f, kcal/mol:	-117.95
Dipole, Da:	6.39
IP(EA), eV:	-9.24(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-amino-4-fluorophenyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)C2=C(C=C(C=C2)N)Cl

DOS

IR

Vibrations