Geometry & MOs

Info

ID:	145551
PubChem CID:	53543187
Reduced:	FN3O4H16C17 (1)
Stoich.:	AB3C4D16E17 (1)
Weight, g/mol:	347.166748
ΔH_f, kcal/mol:	-147.85
Dipole, Da:	6.1
IP(EA), eV:	-9.32(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1=COC(=C1)/C=C/C(=O)NC2=C(C=CC(=C2)C(=O)NCCC(=O)N)F

DOS

IR

Vibrations