Geometry & MOs

Info

ID:	207707
PubChem CID:	80440474
Reduced:	NSO2C16H27 (1)
Stoich.:	ABC2D16E27 (1)
Weight, g/mol:	212.13472
ΔH_f, kcal/mol:	-98.28
Dipole, Da:	6.49
IP(EA), eV:	-8.57(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-5-(2-methylpropyl)-1H-pyrazole-3-thione

Drug info:

PubChemData

Smile

CCCS(=O)(=O)C1=CC=CC=C1CC(CC(C)C)NC

DOS

IR

Vibrations