Geometry & MOs

Info

ID:	363405
PubChem CID:	127310943
Reduced:	SO2N3C21H37 (1)
Stoich.:	AB2C3D21E37 (1)
Weight, g/mol:	385.159076
ΔH_f, kcal/mol:	-135.24
Dipole, Da:	4.18
IP(EA), eV:	-8.69(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]propanamide

Drug info:

PubChemData

Smile

CCCC(=O)N1CCCC(C1)C(=O)NCC2(CCCCC2)N3CCSCC3

DOS

IR

Vibrations