Geometry & MOs

Info

ID:	61970
PubChem CID:	26716383
Reduced:	O2N4C21H31 (1)
Stoich.:	A2B4C21D31 (1)
Weight, g/mol:	461.185866
ΔH_f, kcal/mol:	-47.03
Dipole, Da:	17.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.790756
Charge, e:	1

Chem-info

IUPAC name:

N-(2-methyl-2-piperidin-1-ium-1-ylpropyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C)(C)[NH+]3CCCCC3

DOS

IR

Vibrations