Geometry & MOs

Info

ID:	352739
PubChem CID:	127283828
Reduced:	O2S2N3C16H21 (1)
Stoich.:	A2B2C3D16E21 (1)
Weight, g/mol:	346.146347
ΔH_f, kcal/mol:	-38.26
Dipole, Da:	6.19
IP(EA), eV:	-8.69(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(1-oxo-1,4-thiazinan-4-yl)acetamide

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CN3CCS(=O)CC3

DOS

IR

Vibrations