Geometry & MOs

Info

ID:	284850
PubChem CID:	104076933
Reduced:	OS2N3H11C12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	276.093249
ΔH_f, kcal/mol:	55.8
Dipole, Da:	5.14
IP(EA), eV:	-9.27(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(benzylamino)-2-(1,3-thiazol-2-yl)acetate

Drug info:

PubChemData

Smile

CC1=NN=C(S1)SC2=C(C=CC(=C2)C#N)[C@@H](C)O

DOS

IR

Vibrations