Geometry & MOs

Info

ID:	236783
PubChem CID:	92714663
Reduced:	SO2N4H22C23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	418.146347
ΔH_f, kcal/mol:	56.91
Dipole, Da:	4.56
IP(EA), eV:	-9.05(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)C[S@@](=O)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

DOS

IR

Vibrations