Geometry & MOs

Info

ID:	136029
PubChem CID:	51968355
Reduced:	SN2O3C18H29 (1)
Stoich.:	AB2C3D18E29 (1)
Weight, g/mol:	337.135718
ΔH_f, kcal/mol:	-101.12
Dipole, Da:	6.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754389
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C[NH+](C)C1(CCCCC1)CNC(=O)C2=CC=C(C=C2)CS(=O)(=O)C

DOS

IR

Vibrations