Geometry & MOs

Info

ID:	357726
PubChem CID:	127294400
Reduced:	O3S3N5C10H17 (1)
Stoich.:	A3B3C5D10E17 (1)
Weight, g/mol:	361.124232
ΔH_f, kcal/mol:	-84.91
Dipole, Da:	7.1
IP(EA), eV:	-8.61(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-propylpyrazol-3-yl)-3-(2-thiomorpholin-4-ylsulfonylethyl)urea

Drug info:

PubChemData

Smile

CC1=NN=C(S1)NC(=O)NCCS(=O)(=O)N2CCSCC2

DOS

IR

Vibrations