Geometry & MOs

Info

ID:	234925
PubChem CID:	92303720
Reduced:	SN2O2C20H22 (1)
Stoich.:	AB2C2D20E22 (1)
Weight, g/mol:	408.187149
ΔH_f, kcal/mol:	-53.2
Dipole, Da:	1.31
IP(EA), eV:	-9.0(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2R)-3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations