Geometry & MOs

Info

ID:	345832
PubChem CID:	127270132
Reduced:	SN3O3C20H33 (1)
Stoich.:	AB3C3D20E33 (1)
Weight, g/mol:	395.224263
ΔH_f, kcal/mol:	-173.46
Dipole, Da:	5.61
IP(EA), eV:	-8.92(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-propanoyl-N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCCC(C1)C(=O)NC2CCC(CC2)C(=O)N3CCSCC3

DOS

IR

Vibrations