Geometry & MOs

Info

ID:	201172
PubChem CID:	79500047
Reduced:	OSN4C11H18 (1)
Stoich.:	ABC4D11E18 (1)
Weight, g/mol:	254.120132
ΔH_f, kcal/mol:	-19.43
Dipole, Da:	0.89
IP(EA), eV:	-8.91(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-carbamothioyl-2-methylpyrazol-3-yl)-2-methylpentanamide

Drug info:

PubChemData

Smile

CCCCCC(=O)NC1=C(C=NN1C)C(=S)N

DOS

IR

Vibrations