Geometry & MOs

Info

ID:	9814
PubChem CID:	93460
Reduced:	ClPSN2O3C14H18 (1)
Stoich.:	ABCD2E3F14G18 (1)
Weight, g/mol:	360.046428
ΔH_f, kcal/mol:	-147.7
Dipole, Da:	2.07
IP(EA), eV:	-8.94(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-4-[ethoxy(propylsulfanyl)phosphoryl]oxypyrazole

Drug info:

PubChemData

Smile

CCCSP(=O)(OCC)OC1=CN(N=C1)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations