Geometry & MOs

Info

ID:	73162
PubChem CID:	48417129
Reduced:	SO3N5C14H15 (1)
Stoich.:	AB3C5D14E15 (1)
Weight, g/mol:	392.069159
ΔH_f, kcal/mol:	-27.05
Dipole, Da:	4.73
IP(EA), eV:	-9.55(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N(CC(=O)N2C(=C(C=N2)C#N)N)S(=O)(=O)C

DOS

IR

Vibrations