Geometry & MOs

Info

ID:	447504
PubChem CID:	135283423
Reduced:	ClN2S2O3H23C25 (1)
Stoich.:	AB2C2D3E23F25 (1)
Weight, g/mol:	564.159804
ΔH_f, kcal/mol:	-29.54
Dipole, Da:	2.01
IP(EA), eV:	-9.16(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[3-[[4-(2-chlorophenyl)sulfanyl-3,5-dioxopyrazolidin-1-yl]-phenylmethyl]phenyl]morpholin-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

C1COCCC1C2=CC=C(C=C2)C(C3=CSC=C3)N4C(=O)C(C(=O)N4)SC5=CC=CC=C5Cl

DOS

IR

Vibrations