Geometry & MOs

Info

ID:	196319
PubChem CID:	78811283
Reduced:	NSO3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	401.147236
ΔH_f, kcal/mol:	-148.42
Dipole, Da:	3.48
IP(EA), eV:	-8.88(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methylcyclohexyl) 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1CCCC(C1)OC(=O)CN2C(=CSC2=O)C

DOS

IR

Vibrations