Geometry & MOs

Info

ID:	352812
PubChem CID:	127283901
Reduced:	SO2N3C17H29 (1)
Stoich.:	AB2C3D17E29 (1)
Weight, g/mol:	395.143426
ΔH_f, kcal/mol:	-111.24
Dipole, Da:	3.02
IP(EA), eV:	-8.94(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CN2CCCC2C(=O)N3CCSCC3

DOS

IR

Vibrations