Geometry & MOs

Info

ID:	35397
PubChem CID:	7979804
Reduced:	N2S2O4C19H20 (1)
Stoich.:	A2B2C4D19E20 (1)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	-88.0
Dipole, Da:	1.71
IP(EA), eV:	-9.06(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-cyclooctyl-2-(1,3-dioxoisoindol-2-yl)propanamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=O)NNC(=O)C2=CC=C(C=C2)C3SCCS3)OC

DOS

IR

Vibrations