Geometry & MOs

Info

ID:	85717
PubChem CID:	49878460
Reduced:	NOC5H6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	392.159221
ΔH_f, kcal/mol:	-62.72
Dipole, Da:	1.42
IP(EA), eV:	-8.82(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylcyclohexyl)-2-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide

Drug info:

PubChemData

Smile

CCC1=NC2=C(C(=C(O2)C)C)C(=O)N1

DOS

IR

Vibrations