Geometry & MOs

Info

ID:	360935
PubChem CID:	127301766
Reduced:	SN3O4C15H17 (1)
Stoich.:	AB3C4D15E17 (1)
Weight, g/mol:	327.111599
ΔH_f, kcal/mol:	-120.56
Dipole, Da:	5.17
IP(EA), eV:	-9.28(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxo-1,4-thiazepan-4-yl)-[3-(trifluoromethyl)cyclohexyl]methanone

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)CN2C3=CC=CC=C3N=CC2=O

DOS

IR

Vibrations