Geometry & MOs

Info

ID:	352806
PubChem CID:	127283895
Reduced:	FSO2N3C19H26 (1)
Stoich.:	ABC2D3E19F26 (1)
Weight, g/mol:	395.143426
ΔH_f, kcal/mol:	-125.85
Dipole, Da:	2.17
IP(EA), eV:	-8.82(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CNC(=O)CN2CCCC2C(=O)N3CCSCC3)F

DOS

IR

Vibrations