Geometry & MOs

Info

ID:	236780
PubChem CID:	92714660
Reduced:	SO3N4C22H22 (1)
Stoich.:	AB3C4D22E22 (1)
Weight, g/mol:	419.141596
ΔH_f, kcal/mol:	25.28
Dipole, Da:	2.28
IP(EA), eV:	-8.84(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(S)-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfinyl]-N-(pyridin-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CO1)C(=O)C[S@](=O)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

DOS

IR

Vibrations