Geometry & MOs

Info

ID:	145524
PubChem CID:	53538042
Reduced:	O3N4C17H28 (1)
Stoich.:	A3B4C17D28 (1)
Weight, g/mol:	439.177707
ΔH_f, kcal/mol:	-118.27
Dipole, Da:	5.45
IP(EA), eV:	-9.36(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-3-nitrophenyl]sulfonyl-3-methylpiperidine

Drug info:

PubChemData

Smile

CC(C)N1CC(CC1=O)C(=O)NC(C)(C)C2=NOC(=N2)C(C)(C)C

DOS

IR

Vibrations