Geometry & MOs

Info

ID:	361776
PubChem CID:	127304623
Reduced:	FSN3O3C13H14 (1)
Stoich.:	ABC3D3E13F14 (1)
Weight, g/mol:	364.091535
ΔH_f, kcal/mol:	-123.19
Dipole, Da:	7.55
IP(EA), eV:	-9.57(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]-(1,1-dioxo-1,4-thiazepan-4-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)C2=C3C(=CC(=C2)F)NC=N3

DOS

IR

Vibrations