Geometry & MOs

Info

ID:	201167
PubChem CID:	79499678
Reduced:	SO2N5C12H13 (1)
Stoich.:	AB2C5D12E13 (1)
Weight, g/mol:	281.131031
ΔH_f, kcal/mol:	-8.01
Dipole, Da:	2.71
IP(EA), eV:	-8.8(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-carbamothioyl-2-methylpyrazol-3-yl)-4-methylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)NC2=C(C=NN2)C(=S)N

DOS

IR

Vibrations