Geometry & MOs

Info

ID:	362062
PubChem CID:	127305599
Reduced:	SN3O3C16H27 (1)
Stoich.:	AB3C3D16E27 (1)
Weight, g/mol:	322.171499
ΔH_f, kcal/mol:	-134.34
Dipole, Da:	2.79
IP(EA), eV:	-8.9(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]oxane-3-carboxamide

Drug info:

PubChemData

Smile

CN(C1CN2CCC1CC2)C(=O)CSCC(=O)N3CCOCC3

DOS

IR

Vibrations