Geometry & MOs

Info

ID:	357366
PubChem CID:	127293999
Reduced:	N3S3O5C12H23 (1)
Stoich.:	A3B3C5D12E23 (1)
Weight, g/mol:	304.066383
ΔH_f, kcal/mol:	-215.59
Dipole, Da:	3.21
IP(EA), eV:	-8.71(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-thiomorpholin-4-ylsulfonylethyl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CSCCN1S(=O)(=O)CCNC(=O)CN2CCS(=O)(=O)CC2

DOS

IR

Vibrations