Geometry & MOs

Info

ID:	70834
PubChem CID:	48413931
Reduced:	SO3N4C20H22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	316.099397
ΔH_f, kcal/mol:	-49.29
Dipole, Da:	4.78
IP(EA), eV:	-9.56(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=C(NN=C2)C)S(=O)(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations