Geometry & MOs

Info

ID:	70756
PubChem CID:	48413824
Reduced:	SCl2O3N4C15H16 (1)
Stoich.:	AB2C3D4E15F16 (1)
Weight, g/mol:	384.086781
ΔH_f, kcal/mol:	-57.7
Dipole, Da:	3.98
IP(EA), eV:	-9.66(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)NC3CC3

DOS

IR

Vibrations