Geometry & MOs

Info

ID:	346018
PubChem CID:	127270335
Reduced:	SO2N5C20H25 (1)
Stoich.:	AB2C5D20E25 (1)
Weight, g/mol:	339.198048
ΔH_f, kcal/mol:	-24.98
Dipole, Da:	8.73
IP(EA), eV:	-8.98(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CCC1C(=O)N2CCSCC2)NC(=O)C3=CC=C(C=C3)N4C=NN=C4

DOS

IR

Vibrations