Geometry & MOs

Info

ID:	137135
PubChem CID:	52156744
Reduced:	N3O5C24H25 (1)
Stoich.:	A3B5C24D25 (1)
Weight, g/mol:	499.214092
ΔH_f, kcal/mol:	-117.33
Dipole, Da:	8.28
IP(EA), eV:	-9.17(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

C1CCN(C1)CCN2[C@H](C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C2=O)C5=CC=NC=C5

DOS

IR

Vibrations