Geometry & MOs

Info

ID:	155353
PubChem CID:	56352944
Reduced:	ClFSN4O4C20H22 (1)
Stoich.:	ABCD4E4F20G22 (1)
Weight, g/mol:	352.135782
ΔH_f, kcal/mol:	-168.1
Dipole, Da:	2.26
IP(EA), eV:	-9.19(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-propan-2-yl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=CC(=C(C=C1)F)C(=O)N2CCCN(CC2)C(=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations