Geometry & MOs

Info

ID:	236798
PubChem CID:	92714711
Reduced:	SO2N6C21H22 (1)
Stoich.:	AB2C6D21E22 (1)
Weight, g/mol:	436.136925
ΔH_f, kcal/mol:	64.26
Dipole, Da:	5.42
IP(EA), eV:	-9.0(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C[S@](=O)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

DOS

IR

Vibrations