Geometry & MOs

Info

ID:	156141
PubChem CID:	56369304
Reduced:	FSN2O3C23H27 (1)
Stoich.:	ABC2D3E23F27 (1)
Weight, g/mol:	447.146407
ΔH_f, kcal/mol:	-124.07
Dipole, Da:	4.93
IP(EA), eV:	-9.37(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-methoxy-5-nitrobenzoyl)piperidin-3-yl]methyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)C(=O)C3CC3C4=CC=CC=C4F

DOS

IR

Vibrations