Geometry & MOs

Info

ID:	38440
PubChem CID:	8062241
Reduced:	N2O3C22H30 (1)
Stoich.:	A2B3C22D30 (1)
Weight, g/mol:	360.187149
ΔH_f, kcal/mol:	-127.46
Dipole, Da:	6.78
IP(EA), eV:	-9.17(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S)-3-benzoyl-2-cyclohexyl-N-propyl-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)C(=O)N4CCN(CC4)C(=O)C5=CC=CO5)C

DOS

IR

Vibrations