Geometry & MOs

Info

ID:	238948
PubChem CID:	93165764
Reduced:	SO2N3C25H31 (1)
Stoich.:	AB2C3D25E31 (1)
Weight, g/mol:	451.229348
ΔH_f, kcal/mol:	-82.51
Dipole, Da:	7.84
IP(EA), eV:	-8.31(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R)-N-(3,4-dimethylphenyl)-2-(4-methylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazolidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)NC2=CC3=C(C=C2)SCC(=O)N3CC4=CC=C(C=C4)C

DOS

IR

Vibrations