Geometry & MOs

Info

ID:	163040
PubChem CID:	57581456
Reduced:	NO3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	528.171893
ΔH_f, kcal/mol:	-71.75
Dipole, Da:	6.03
IP(EA), eV:	-8.66(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[4-[(5-benzyl-4-phenyl-1,3-thiazol-2-yl)amino]-4-oxobutanoyl]phenoxy]acetate

Drug info:

PubChemData

Smile

COCOC1=CC=C(C=C1)C(=O)C2=CC=CC=C2N

DOS

IR

Vibrations