Geometry & MOs

Info

ID:	77521
PubChem CID:	49649924
Reduced:	N2O4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	368.119464
ΔH_f, kcal/mol:	-96.52
Dipole, Da:	2.74
IP(EA), eV:	-8.96(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclobutanecarbonyl)-4-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-3-oxobutanenitrile

Drug info:

PubChemData

Smile

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)C(C#N)C(=O)C3CCC3

DOS

IR

Vibrations