Geometry & MOs

Info

ID:	234878
PubChem CID:	92303643
Reduced:	NO3C25H29 (1)
Stoich.:	AB3C25D29 (1)
Weight, g/mol:	412.162077
ΔH_f, kcal/mol:	-118.49
Dipole, Da:	3.55
IP(EA), eV:	-8.96(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopentyl-N-[4-[(2R)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H]2CC(=O)N(C(=C2C(=O)OC(C)C)C)CC3=CC=CC(=C3)C

DOS

IR

Vibrations