Geometry & MOs

Info

ID:	447514
PubChem CID:	135283483
Reduced:	O3C34H66 (1)
Stoich.:	A3B34C66 (1)
Weight, g/mol:	536.128504
ΔH_f, kcal/mol:	-286.71
Dipole, Da:	4.47
IP(EA), eV:	-10.7(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[[4-(2-chlorophenyl)sulfanyl-3,5-dioxopyrazolidin-1-yl]-phenylmethyl]phenyl]morpholine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCC

DOS

IR

Vibrations