Geometry & MOs

Info

ID:	357449
PubChem CID:	127294082
Reduced:	SN3O4C19H21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	383.159354
ΔH_f, kcal/mol:	-115.26
Dipole, Da:	2.91
IP(EA), eV:	-8.55(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(2-indazol-1-ylacetyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CCC1=C(SC(=N1)NC(=O)C2CCN(C2=O)C3=CC4=C(C=C3)OCCO4)C

DOS

IR

Vibrations