Geometry & MOs

Info

ID:	151659
PubChem CID:	56261017
Reduced:	ON5C21H25 (1)
Stoich.:	AB5C21D25 (1)
Weight, g/mol:	409.109627
ΔH_f, kcal/mol:	31.3
Dipole, Da:	5.7
IP(EA), eV:	-9.17(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-oxo-2-[2-(4-prop-2-ynoxyphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2=CC(=CC=C2)C(=O)NC3=CN=C(N=C3)C(C)(C)C)C

DOS

IR

Vibrations