Geometry & MOs

Info

ID:	140435
PubChem CID:	52697184
Reduced:	NSO2Cl3C12H16 (1)
Stoich.:	ABC2D3E12F16 (1)
Weight, g/mol:	415.194106
ΔH_f, kcal/mol:	-93.62
Dipole, Da:	4.5
IP(EA), eV:	-9.58(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-1-[2-(dimethylamino)ethyl-[(2-fluorophenyl)methyl]sulfamoyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCC[C@@H](C)N(C)S(=O)(=O)C1=C(C=C(C=C1Cl)Cl)Cl

DOS

IR

Vibrations