Geometry & MOs

Info

ID:	284337
PubChem CID:	104044614
Reduced:	NSO3C13H23 (1)
Stoich.:	ABC3D13E23 (1)
Weight, g/mol:	275.152144
ΔH_f, kcal/mol:	-158.26
Dipole, Da:	2.19
IP(EA), eV:	-8.71(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dimethyloxan-4-yl) 2,3-dihydro-1H-isoindole-5-carboxylate

Drug info:

PubChemData

Smile

CC1CC(CC(O1)C)OC(=O)CC2CSCCN2

DOS

IR

Vibrations