Geometry & MOs

Info

ID:	34049
PubChem CID:	7889607
Reduced:	NO3C26H29 (1)
Stoich.:	AB3C26D29 (1)
Weight, g/mol:	401.14495
ΔH_f, kcal/mol:	-97.76
Dipole, Da:	2.83
IP(EA), eV:	-8.84(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 2-naphthalen-1-ylacetate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)CC(C)C)NC(=O)COC(=O)CC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations