Geometry & MOs

Info

ID:	236799
PubChem CID:	92714734
Reduced:	FSO2N4H21C23 (1)
Stoich.:	ABC2D4E21F23 (1)
Weight, g/mol:	436.136925
ΔH_f, kcal/mol:	9.74
Dipole, Da:	2.82
IP(EA), eV:	-8.76(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-fluorophenyl)methyl]-2-[(R)-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfinyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=C(C=N2)C[S@](=O)CC(=O)NCC3=CC(=CC=C3)F)N4C=CC=C4

DOS

IR

Vibrations