Geometry & MOs

Info

ID:	352737
PubChem CID:	127283826
Reduced:	O2S2N3C16H21 (1)
Stoich.:	A2B2C3D16E21 (1)
Weight, g/mol:	393.06394
ΔH_f, kcal/mol:	-42.0
Dipole, Da:	6.98
IP(EA), eV:	-8.54(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanone

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=C(S2)NC(=O)CCN3CCS(=O)CC3)C#N

DOS

IR

Vibrations