Geometry & MOs

Info

ID:	357537
PubChem CID:	127294200
Reduced:	O2N5C21H33 (1)
Stoich.:	A2B5C21D33 (1)
Weight, g/mol:	391.159949
ΔH_f, kcal/mol:	-64.45
Dipole, Da:	6.76
IP(EA), eV:	-8.68(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-oxo-1-(2-thiomorpholin-4-ylsulfonylethylamino)propan-2-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CN(C)CCN(CC1=CC=CC=N1)C(=O)C2CCCN(C2)C(=O)N3CCCC3

DOS

IR

Vibrations