Geometry & MOs

Info

ID:	159690
PubChem CID:	57288632
Reduced:	BrNSO5H20C23 (1)
Stoich.:	ABCD5E20F23 (1)
Weight, g/mol:	461.105468
ΔH_f, kcal/mol:	-90.14
Dipole, Da:	4.67
IP(EA), eV:	-9.69(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-6-ethyl-3,5-dioxo-N-[4-(trifluoromethylsulfanyl)phenyl]-1,2,6-thiadiazinane-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N2[C@H]([C@H](C2=O)Br)S(=O)(=O)C1C3CC3(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O

DOS

IR

Vibrations