Geometry & MOs

Info

ID:	345825
PubChem CID:	127270125
Reduced:	SN2O3C20H26 (1)
Stoich.:	AB2C3D20E26 (1)
Weight, g/mol:	398.223929
ΔH_f, kcal/mol:	-121.6
Dipole, Da:	3.85
IP(EA), eV:	-8.89(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(oxan-2-ylmethoxy)-N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]propanamide

Drug info:

PubChemData

Smile

C1CC(CCC1C(=O)N2CCSCC2)NC(=O)C3=CC4=C(COC4)C=C3

DOS

IR

Vibrations