Geometry & MOs

Info

ID:	32692
PubChem CID:	7847169
Reduced:	NO4C24H25 (1)
Stoich.:	AB4C24D25 (1)
Weight, g/mol:	418.135114
ΔH_f, kcal/mol:	-113.56
Dipole, Da:	5.85
IP(EA), eV:	-9.26(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-ethyl-3-methylquinoline-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)O[C@@H](C)C(=O)C3=CC=C(C=C3)OCC

DOS

IR

Vibrations