Geometry & MOs

Info

ID:	358611
PubChem CID:	127296370
Reduced:	S2N3O3C15H17 (1)
Stoich.:	A2B3C3D15E17 (1)
Weight, g/mol:	329.119798
ΔH_f, kcal/mol:	-84.31
Dipole, Da:	7.19
IP(EA), eV:	-8.51(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-cyclopropyl-2-phenylpyrazol-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N3CCCC3=N2)C(=O)N4CCS(=O)CC4

DOS

IR

Vibrations