Geometry & MOs

Info

ID:	134098
PubChem CID:	51643789
Reduced:	S2N3O4C23H31 (1)
Stoich.:	A2B3C4D23E31 (1)
Weight, g/mol:	391.192963
ΔH_f, kcal/mol:	-126.26
Dipole, Da:	3.94
IP(EA), eV:	-8.99(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[(1S,2R)-2-methylcyclohexyl]hexanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NC[C@@H](C2=CC=CS2)N3CCCC3)S(=O)(=O)NC4CCCC4

DOS

IR

Vibrations