Geometry & MOs

Info

ID:	234945
PubChem CID:	92303760
Reduced:	SN2O3H22C24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	410.202799
ΔH_f, kcal/mol:	-53.12
Dipole, Da:	5.65
IP(EA), eV:	-8.82(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2R)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]heptanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2[C@H](SCC2=O)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)OC

DOS

IR

Vibrations