Geometry & MOs

Info

ID:	363501
PubChem CID:	127311559
Reduced:	O2S2N3C12H25 (1)
Stoich.:	A2B2C3D12E25 (1)
Weight, g/mol:	318.118418
ΔH_f, kcal/mol:	-97.84
Dipole, Da:	3.4
IP(EA), eV:	-8.63(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,5-trimethyl-N-(2-thiomorpholin-4-ylethyl)pyrazole-4-sulfonamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)S(=O)(=O)NCCN2CCSCC2

DOS

IR

Vibrations