Geometry & MOs

Info

ID:	345867
PubChem CID:	127270167
Reduced:	SO2N3C22H29 (1)
Stoich.:	AB2C3D22E29 (1)
Weight, g/mol:	397.203528
ΔH_f, kcal/mol:	-79.76
Dipole, Da:	0.77
IP(EA), eV:	-8.43(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-morpholin-4-yl-4-oxo-N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]butanamide

Drug info:

PubChemData

Smile

C1CC(CCC1C(=O)N2CCSCC2)NC(=O)CCC3=CNC4=CC=CC=C43

DOS

IR

Vibrations