Geometry & MOs

Info

ID:	345849
PubChem CID:	127270149
Reduced:	SN3O4C19H31 (1)
Stoich.:	AB3C4D19E31 (1)
Weight, g/mol:	367.192963
ΔH_f, kcal/mol:	-197.7
Dipole, Da:	6.22
IP(EA), eV:	-8.93(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCN1CC(CC1=O)C(=O)NC2CCC(CC2)C(=O)N3CCSCC3

DOS

IR

Vibrations