Geometry & MOs

Info

ID:

422655

PubChem CID:

135118198

Reduced:

SO7N9C37H47 (1)

Stoich.:

AB7C9D37E47 (1)

Weight, g/mol:

371.120272

ΔHf, kcal/mol:

-191.58

Dipole, Da:

8.76

IP(EA), eV:

 -8.7(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4S)-3-(cyclopropylmethyl)-1-(2-fluoro-5-methylphenyl)sulfonyl-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N(CC(=O)N1)C)CC3=CNC4=CC=CC=C43)CC(C)C)C(=O)C5=C(ON=C5C)C)C

DOS

IR

Vibrations