Geometry & MOs

Info

ID:	363314
PubChem CID:	127310731
Reduced:	SO3N4C18H28 (1)
Stoich.:	AB3C4D18E28 (1)
Weight, g/mol:	362.202799
ΔH_f, kcal/mol:	-104.57
Dipole, Da:	1.67
IP(EA), eV:	-8.53(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-hydroxyphenyl)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]propanamide

Drug info:

PubChemData

Smile

COC1=C(C(=NC=N1)OC)C(=O)NCC2(CCCCC2)N3CCSCC3

DOS

IR

Vibrations