Geometry & MOs

Info

ID:	205757
PubChem CID:	80153056
Reduced:	NSO2H11C13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	307.151847
ΔH_f, kcal/mol:	-24.73
Dipole, Da:	6.16
IP(EA), eV:	-9.02(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoro-4-methylphenyl]-N-ethylethanamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SCC2=NC=C(C=C2)C(=O)O

DOS

IR

Vibrations