Geometry & MOs

Info

ID:	70847
PubChem CID:	48413947
Reduced:	O2N4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	395.105211
ΔH_f, kcal/mol:	-47.95
Dipole, Da:	2.54
IP(EA), eV:	-9.21(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C(=O)CCC2)C(=O)NCC3=C(NN=C3)C

DOS

IR

Vibrations