Geometry & MOs

Info

ID:	363308
PubChem CID:	127310725
Reduced:	OSN5C20H29 (1)
Stoich.:	ABC5D20E29 (1)
Weight, g/mol:	378.197714
ΔH_f, kcal/mol:	-4.45
Dipole, Da:	1.25
IP(EA), eV:	-8.64(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethoxy-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=NN2C(=C(C=NC2=C1)C(=O)NCC3(CCCCC3)N4CCSCC4)C

DOS

IR

Vibrations