Geometry & MOs

Info

ID:	238949
PubChem CID:	93165765
Reduced:	SO2N3C26H33 (1)
Stoich.:	AB2C3D26E33 (1)
Weight, g/mol:	451.229348
ΔH_f, kcal/mol:	-74.31
Dipole, Da:	5.99
IP(EA), eV:	-8.59(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S)-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]1CCCCN1C(=O)[C@@H]2CS[C@@H](N2C(=O)NC3=CC(=C(C=C3)C)C)C4=CC=C(C=C4)C

DOS

IR

Vibrations