Geometry & MOs

Info

ID:	363392
PubChem CID:	127310929
Reduced:	SN4O4C17H26 (1)
Stoich.:	AB4C4D17E26 (1)
Weight, g/mol:	387.198048
ΔH_f, kcal/mol:	-155.71
Dipole, Da:	7.59
IP(EA), eV:	-9.86(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-oxo-1H-isoindol-2-yl)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]acetamide

Drug info:

PubChemData

Smile

CN(CC1=CC=NN1)C(=O)C2CCCCC2C(=O)NC3CCS(=O)(=O)C3

DOS

IR

Vibrations