Geometry & MOs

Info

ID:	279664
PubChem CID:	103844606
Reduced:	ClSN2C9H15 (1)
Stoich.:	ABC2D9E15 (1)
Weight, g/mol:	282.057134
ΔH_f, kcal/mol:	11.29
Dipole, Da:	4.9
IP(EA), eV:	-8.79(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(4-chloro-5-methylpyrazol-1-yl)methyl]-2-fluorobenzoate

Drug info:

PubChemData

Smile

CCSCCCN1C(=C(C=N1)Cl)C

DOS

IR

Vibrations