Geometry & MOs

Info

ID:	353386
PubChem CID:	127284762
Reduced:	SN3O4C17H27 (1)
Stoich.:	AB3C4D17E27 (1)
Weight, g/mol:	389.188546
ΔH_f, kcal/mol:	-176.41
Dipole, Da:	5.45
IP(EA), eV:	-8.8(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(C(=O)C1=O)CC(=O)N(CC2CCCO2)C3CCSC3

DOS

IR

Vibrations