Geometry & MOs

Info

ID:	236781
PubChem CID:	92714661
Reduced:	SO2N5H21C22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	419.141596
ΔH_f, kcal/mol:	64.99
Dipole, Da:	6.51
IP(EA), eV:	-9.01(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=C(C=N2)C[S@](=O)CC(=O)NCC3=CC=CC=N3)N4C=CC=C4

DOS

IR

Vibrations