Geometry & MOs

Info

ID:	140180
PubChem CID:	52658920
Reduced:	SO2N3F6H13C16 (1)
Stoich.:	AB2C3D6E13F16 (1)
Weight, g/mol:	462.128314
ΔH_f, kcal/mol:	-360.31
Dipole, Da:	5.97
IP(EA), eV:	-9.93(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carbonyl]amino]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NC(=CS2)CC(=O)NCC(=O)NCC(F)(F)F)C(F)(F)F

DOS

IR

Vibrations