Geometry & MOs

Info

ID:	353387
PubChem CID:	127284763
Reduced:	SO2N5C19H27 (1)
Stoich.:	AB2C5D19E27 (1)
Weight, g/mol:	321.151098
ΔH_f, kcal/mol:	-31.63
Dipole, Da:	7.36
IP(EA), eV:	-8.46(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2=NNC(=C2)C(=O)N(CC3CCCO3)C4CCSC4

DOS

IR

Vibrations