Geometry & MOs

Info

ID:	157577
PubChem CID:	56435814
Reduced:	SO3N4C24H30 (1)
Stoich.:	AB3C4D24E30 (1)
Weight, g/mol:	400.193297
ΔH_f, kcal/mol:	-63.52
Dipole, Da:	2.1
IP(EA), eV:	-8.89(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-ditert-butylpyrazol-3-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)C(C)(C)C

DOS

IR

Vibrations