Geometry & MOs

Info

ID:	422621
PubChem CID:	135118154
Reduced:	S2N3O4C14H23 (1)
Stoich.:	A2B3C4D14E23 (1)
Weight, g/mol:	329.210327
ΔH_f, kcal/mol:	-156.59
Dipole, Da:	6.92
IP(EA), eV:	-9.65(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]ethanone

Drug info:

PubChemData

Smile

CCC1=NC(=C(S1)C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)C

DOS

IR

Vibrations