Geometry & MOs

Info

ID:	361748
PubChem CID:	127304564
Reduced:	SO3N4C15H18 (1)
Stoich.:	AB3C4D15E18 (1)
Weight, g/mol:	368.066463
ΔH_f, kcal/mol:	-48.94
Dipole, Da:	8.73
IP(EA), eV:	-9.78(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxo-1,4-thiazepan-4-yl)-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC=CC=C2)C(=O)N3CCCS(=O)(=O)CC3

DOS

IR

Vibrations