Geometry & MOs

Info

ID:	70762
PubChem CID:	48413835
Reduced:	N3O3C16H19 (1)
Stoich.:	A3B3C16D19 (1)
Weight, g/mol:	347.105211
ΔH_f, kcal/mol:	-45.38
Dipole, Da:	1.8
IP(EA), eV:	-8.65(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC(=C(C=C2)OCC=C)OC

DOS

IR

Vibrations