Geometry & MOs

Info

ID:	132807
PubChem CID:	51424130
Reduced:	SO2N3C23H31 (1)
Stoich.:	AB2C3D23E31 (1)
Weight, g/mol:	414.215472
ΔH_f, kcal/mol:	-86.48
Dipole, Da:	5.01
IP(EA), eV:	-8.9(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(cyclooctylamino)-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC1CCCCC1)SC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

DOS

IR

Vibrations