Geometry & MOs

Info

ID:	349877
PubChem CID:	127276483
Reduced:	SO2N3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	389.177313
ΔH_f, kcal/mol:	-21.31
Dipole, Da:	3.38
IP(EA), eV:	-8.85(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-oxo-4-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]butan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=CC(=NC3=CC=CC=C32)C4CC4)C(=O)N5CCSCC5

DOS

IR

Vibrations