Geometry & MOs

Info

ID:	32243
PubChem CID:	6436129
Reduced:	ClN2O4C22H25 (1)
Stoich.:	AB2C4D22E25 (1)
Weight, g/mol:	412.182064
ΔH_f, kcal/mol:	-111.56
Dipole, Da:	6.25
IP(EA), eV:	-8.52(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[(E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]anilino]-2,2-diethyl-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CN(C)CC/C=C\1/C2=CC=CN2CCC3=C1C=C(C=C3)Cl.C(=C\C(=O)O)\C(=O)O

DOS

IR

Vibrations