Geometry & MOs

Info

ID:	141284
PubChem CID:	52853102
Reduced:	N2O5C18H26 (1)
Stoich.:	A2B5C18D26 (1)
Weight, g/mol:	386.166414
ΔH_f, kcal/mol:	-200.78
Dipole, Da:	6.71
IP(EA), eV:	-9.2(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1CCCC1)NC(=O)C2=C(C(=C(C=C2)OC)OC)OC

DOS

IR

Vibrations