Geometry & MOs

Info

ID:	234839
PubChem CID:	92303586
Reduced:	FSN2O2C22H25 (1)
Stoich.:	ABC2D2E22F25 (1)
Weight, g/mol:	400.162077
ΔH_f, kcal/mol:	-115.41
Dipole, Da:	7.14
IP(EA), eV:	-8.88(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2R)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)N2[C@@H](SCC2=O)C3=CC(=CC=C3)NC(=O)CC(C)(C)C

DOS

IR

Vibrations