Geometry & MOs

Info

ID:	224038
PubChem CID:	85337399
Reduced:	SN3O4C27H37 (1)
Stoich.:	AB3C4D27E37 (1)
Weight, g/mol:	504.273656
ΔH_f, kcal/mol:	-106.76
Dipole, Da:	4.31
IP(EA), eV:	-8.94(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-morpholin-4-yl-1-[3-[4-(1-nitroso-2,3-dihydroinden-5-ylidene)-5-piperidin-4-ylidenefuran-2-yl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCN(C1CCN(CC1)CCC(=NOCC)C2=CC=CC=C2)C(=O)CC3=CC=C(C=C3)S(=O)(=O)C

DOS

IR

Vibrations