Geometry & MOs

Info

ID:	42442
PubChem CID:	8149560
Reduced:	ON2C12H16 (2)
Stoich.:	AB2C12D16 (2)
Weight, g/mol:	402.124943
ΔH_f, kcal/mol:	-46.72
Dipole, Da:	3.61
IP(EA), eV:	-7.86(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (6R)-6-cyano-6-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-oxohexanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=C(C=C1)N2CCOCC2)NC3=CC=C(C=C3)N4CCCCC4

DOS

IR

Vibrations