Geometry & MOs

Info

ID:	192487
PubChem CID:	78275012
Reduced:	S2F3O3N4C21H21 (1)
Stoich.:	A2B3C3D4E21F21 (1)
Weight, g/mol:	381.184804
ΔH_f, kcal/mol:	-178.31
Dipole, Da:	9.22
IP(EA), eV:	-8.87(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 2-[[2-(2,6-dimethylmorpholin-4-ium-4-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC3=NC(=NC(=O)C23)CN4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C(F)(F)F

DOS

IR

Vibrations