Geometry & MOs

Info

ID:	421412
PubChem CID:	135115943
Reduced:	ClFO3N4H14C15 (1)
Stoich.:	ABC3D4E14F15 (1)
Weight, g/mol:	367.145344
ΔH_f, kcal/mol:	-113.25
Dipole, Da:	5.77
IP(EA), eV:	-9.63(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(CN2C(=CC(=N2)C(=O)NCC3=CC(=C(C=C3)F)Cl)C(=O)N1)O

DOS

IR

Vibrations