Geometry & MOs

Info

ID:	157958
PubChem CID:	56459347
Reduced:	SN3O3C27H29 (1)
Stoich.:	AB3C3D27E29 (1)
Weight, g/mol:	417.172228
ΔH_f, kcal/mol:	-55.69
Dipole, Da:	3.74
IP(EA), eV:	-8.81(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-(morpholin-4-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2=CC=CC(=C2)CN3CCOCC3)C(=O)N4CCC5=C(C4)C=CS5

DOS

IR

Vibrations