Geometry & MOs

Info

ID:	236782
PubChem CID:	92714662
Reduced:	SO2N5H21C22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	418.146347
ΔH_f, kcal/mol:	65.44
Dipole, Da:	6.15
IP(EA), eV:	-8.53(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[(S)-(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=N3)N4C=CC=C4

DOS

IR

Vibrations