Geometry & MOs

Info

ID:	231550
PubChem CID:	87574094
Reduced:	SN2O2C14H14 (1)
Stoich.:	AB2C2D14E14 (1)
Weight, g/mol:	451.156577
ΔH_f, kcal/mol:	-30.31
Dipole, Da:	3.39
IP(EA), eV:	-8.39(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethoxy-3-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC(=O)SOC1=C(C=C(C=C1)C2=CC=C(C=C2)N)N

DOS

IR

Vibrations