Geometry & MOs

Info

ID:	138643
PubChem CID:	52399578
Reduced:	FON4H21C23 (1)
Stoich.:	ABC4D21E23 (1)
Weight, g/mol:	382.151513
ΔH_f, kcal/mol:	39.43
Dipole, Da:	3.65
IP(EA), eV:	-8.91(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-(4-fluorophenyl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H](C2=CC=NC=C2)NCC3=C(NN=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations