Geometry & MOs

Info

ID:	140970
PubChem CID:	52792002
Reduced:	SN5O5C18H23 (1)
Stoich.:	AB5C5D18E23 (1)
Weight, g/mol:	445.203528
ΔH_f, kcal/mol:	-92.89
Dipole, Da:	9.64
IP(EA), eV:	-9.18(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-4-[methyl(propyl)amino]benzamide

Drug info:

PubChemData

Smile

C/C(=N\OCC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)/C3=CN(N=C3)C

DOS

IR

Vibrations