Geometry & MOs

Info

ID:	138644
PubChem CID:	52399644
Reduced:	FOSN2C22H23 (1)
Stoich.:	ABCD2E22F23 (1)
Weight, g/mol:	382.151513
ΔH_f, kcal/mol:	-41.4
Dipole, Da:	5.15
IP(EA), eV:	-9.27(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CCNC(=O)C[C@@H](C2=CC=CC=C2)C3=CC=C(C=C3)F)C

DOS

IR

Vibrations