Geometry & MOs

Info

ID:	164484
PubChem CID:	74404423
Reduced:	OSN5C30H35 (1)
Stoich.:	ABC5D30E35 (1)
Weight, g/mol:	318.028646
ΔH_f, kcal/mol:	35.56
Dipole, Da:	6.43
IP(EA), eV:	-8.34(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[(2,5-dichlorophenyl)methylamino]-nitrosomethylidene]-1,2,5-oxadiazolidin-3-yl]methanol

Drug info:

PubChemData

Smile

CC(CNC(=S)N1CCC(CC1)N2C3=CC=CC=C3NC2=O)N(CC4=CC=CC=C4)CC5=CC=CC=C5

DOS

IR

Vibrations