Geometry & MOs

Info

ID:	36941
PubChem CID:	8015117
Reduced:	NO5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	369.060569
ΔH_f, kcal/mol:	-161.72
Dipole, Da:	3.4
IP(EA), eV:	-8.71(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC[C@H](C)C1=CC=C(C=C1)NC(=O)COC(=O)COC2=CC=CC=C2C=O

DOS

IR

Vibrations