Geometry & MOs

Info

ID:	345882
PubChem CID:	127270182
Reduced:	SN3O3C20H33 (1)
Stoich.:	AB3C3D20E33 (1)
Weight, g/mol:	395.224263
ΔH_f, kcal/mol:	-176.09
Dipole, Da:	5.93
IP(EA), eV:	-8.73(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylpropanoyl)-N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCC(=O)N1CCCC1C(=O)NC2CCC(CC2)C(=O)N3CCSCC3

DOS

IR

Vibrations