Geometry & MOs

Info

ID:	36388
PubChem CID:	8004879
Reduced:	FON2S2H13C16 (1)
Stoich.:	ABC2D2E13F16 (1)
Weight, g/mol:	320.101706
ΔH_f, kcal/mol:	-17.45
Dipole, Da:	4.18
IP(EA), eV:	-8.91(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-cyclohexylacetamide

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2N=C(S1)SCC(=O)NC3=CC=CC=C3F

DOS

IR

Vibrations