Geometry & MOs

Info

ID:	235105
PubChem CID:	92304044
Reduced:	SN2O2C23H26 (1)
Stoich.:	AB2C2D23E26 (1)
Weight, g/mol:	382.171499
ΔH_f, kcal/mol:	-57.02
Dipole, Da:	6.37
IP(EA), eV:	-8.88(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-N-[2-[(2S)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]butanamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N2[C@@H](SCC2=O)C3=CC(=CC=C3)NC(=O)C4CCCC4

DOS

IR

Vibrations