Geometry & MOs

Info

ID:	60480
PubChem CID:	26697070
Reduced:	S2N3O4C17H20 (1)
Stoich.:	A2B3C4D17E20 (1)
Weight, g/mol:	440.172956
ΔH_f, kcal/mol:	-62.02
Dipole, Da:	4.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.762740
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-5-nitrophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1CCN=C(C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3)[O-]

DOS

IR

Vibrations