Geometry & MOs

Info

ID:	358981
PubChem CID:	127296872
Reduced:	O3N5C17H21 (1)
Stoich.:	A3B5C17D21 (1)
Weight, g/mol:	398.1334
ΔH_f, kcal/mol:	-60.84
Dipole, Da:	4.84
IP(EA), eV:	-8.58(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopentyloxy-N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N=C1C)C)C(=O)NC2=NC=C(C=C2)N3CCOCC3

DOS

IR

Vibrations