Geometry & MOs

Info

ID:	345881
PubChem CID:	127270181
Reduced:	SO2N3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	395.224263
ΔH_f, kcal/mol:	-56.39
Dipole, Da:	3.4
IP(EA), eV:	-8.88(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CCC1C(=O)N2CCSCC2)NC(=O)C3=CN=CC4=CC=CC=C43

DOS

IR

Vibrations