Geometry & MOs

Info

ID:	419278
PubChem CID:	135107881
Reduced:	SO4N6C18H30 (1)
Stoich.:	AB4C6D18E30 (1)
Weight, g/mol:	357.104622
ΔH_f, kcal/mol:	-134.15
Dipole, Da:	4.55
IP(EA), eV:	-8.79(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-3-(cyclopropylmethyl)-1-(4-fluorophenyl)sulfonyl-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NC(=NC=C2)N3CCCN(CC3)S(=O)(=O)N4CCOCC4)O

DOS

IR

Vibrations