Geometry & MOs

Info

ID:	234838
PubChem CID:	92303585
Reduced:	SN2O2C22H26 (1)
Stoich.:	AB2C2D22E26 (1)
Weight, g/mol:	400.162077
ΔH_f, kcal/mol:	-63.29
Dipole, Da:	4.31
IP(EA), eV:	-8.87(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCC(=O)NC1=CC=C(C=C1)[C@H]2N(C(=O)CS2)C3=CC=CC=C3

DOS

IR

Vibrations