Geometry & MOs

Info

ID:	234909
PubChem CID:	92303697
Reduced:	S2N3O3C20H27 (1)
Stoich.:	A2B3C3D20E27 (1)
Weight, g/mol:	408.188292
ΔH_f, kcal/mol:	-82.94
Dipole, Da:	9.64
IP(EA), eV:	-8.6(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R)-2-cyclohexyl-3-(3-fluorobenzoyl)-N-(3-methoxypropyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](CC(=O)NC1=NN=C(S1)SCC(=O)C2=CC(=CC=C2)OC)CC(C)(C)C

DOS

IR

Vibrations