Geometry & MOs

Info

ID:	359491
PubChem CID:	127298765
Reduced:	OSN2C15H24 (1)
Stoich.:	ABC2D15E24 (1)
Weight, g/mol:	381.127776
ΔH_f, kcal/mol:	-43.81
Dipole, Da:	3.87
IP(EA), eV:	-8.69(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chlorophenyl)methyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CC=CC(C1)N2CCCC2C(=O)N3CCSCC3

DOS

IR

Vibrations