Geometry & MOs

Info

ID:	366594
PubChem CID:	127320123
Reduced:	OSN4C18H24 (1)
Stoich.:	ABC4D18E24 (1)
Weight, g/mol:	281.119798
ΔH_f, kcal/mol:	13.07
Dipole, Da:	2.37
IP(EA), eV:	-8.95(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-oxo-3-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propanenitrile

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=NC(=CS1)C2=CC=NC=C2)N3CCCCCC3

DOS

IR

Vibrations