Geometry & MOs

Info

ID:	236751
PubChem CID:	92714624
Reduced:	SO2N4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	432.161997
ΔH_f, kcal/mol:	-15.1
Dipole, Da:	5.68
IP(EA), eV:	-8.67(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CN(CCN1C2=CC=CC(=C2)C)C3=C4C(=C(SC4=NC=N3)C(=O)O)C

DOS

IR

Vibrations