Geometry & MOs

Info

ID:	70729
PubChem CID:	48413783
Reduced:	O2F3N3C15H16 (1)
Stoich.:	A2B3C3D15E16 (1)
Weight, g/mol:	389.152161
ΔH_f, kcal/mol:	-189.24
Dipole, Da:	3.33
IP(EA), eV:	-9.72(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]hexanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC=C(C=C2)COCC(F)(F)F

DOS

IR

Vibrations