Geometry & MOs

Info

ID:	62256
PubChem CID:	26718638
Reduced:	SN3O3C27H27 (1)
Stoich.:	AB3C3D27E27 (1)
Weight, g/mol:	425.115775
ΔH_f, kcal/mol:	-4.15
Dipole, Da:	5.77
IP(EA), eV:	-8.25(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)C(=O)CC/C(=C/C3=CC=CO3)/C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations