Geometry & MOs

Info

ID:	231709
PubChem CID:	87574490
Reduced:	SiO3C31H43 (1)
Stoich.:	AB3C31D43 (1)
Weight, g/mol:	453.135842
ΔH_f, kcal/mol:	-122.89
Dipole, Da:	3.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.763158
Charge, e:	0

Chem-info

IUPAC name:

3-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)-3-(2,4,5-trimethoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CC(/C=C/C(=O)OC)[C@]1(CC[C@H](C1(C)C)C(C(C)(C)C)O[Si](C2=CC=CC=C2)C3=CC=CC=C3)C

DOS

IR

Vibrations