Geometry & MOs

Info

ID:	359489
PubChem CID:	127298763
Reduced:	SN3O3C19H31 (1)
Stoich.:	AB3C3D19E31 (1)
Weight, g/mol:	350.177647
ΔH_f, kcal/mol:	-143.83
Dipole, Da:	3.9
IP(EA), eV:	-8.7(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2C(C1)N(CCO2)C(=O)CN3CCCC3C(=O)N4CCSCC4

DOS

IR

Vibrations