Geometry & MOs

Info

ID:	369017
PubChem CID:	127331121
Reduced:	O2N7C17H29 (1)
Stoich.:	A2B7C17D29 (1)
Weight, g/mol:	394.134462
ΔH_f, kcal/mol:	-47.37
Dipole, Da:	2.94
IP(EA), eV:	-8.36(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(acetamidomethyl)-N-(2-thiomorpholin-4-ylsulfonylethyl)morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC(CN1CCN(CC1)C)NC(=O)NC2CCN(C2=O)C3=CN(N=C3)C

DOS

IR

Vibrations