Geometry & MOs

Info

ID:	229959
PubChem CID:	87569651
Reduced:	C3F3S3H5O9 (1)
Stoich.:	A3B3C3D5E9 (1)
Weight, g/mol:	655.196391
ΔH_f, kcal/mol:	-530.61
Dipole, Da:	0.65
IP(EA), eV:	-12.4(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-[1-(dimethylamino)-2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1-(4-methoxynaphthalen-1-yl)sulfonyl-2H-indole-3-carboxylate

Drug info:

PubChemData

Smile

C(C(S(=O)(=O)O)S(=O)(=O)OC(F)(F)F)S(=O)(=O)O

DOS

IR

Vibrations