Geometry & MOs

Info

ID:	353376
PubChem CID:	127284752
Reduced:	SN2O3C19H24 (1)
Stoich.:	AB2C3D19E24 (1)
Weight, g/mol:	371.166748
ΔH_f, kcal/mol:	-125.44
Dipole, Da:	4.72
IP(EA), eV:	-8.59(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(OC1)CN(C2CCSC2)C(=O)C3=CC4=C(C=C3)NC(=O)CC4

DOS

IR

Vibrations