Geometry & MOs

Info

ID:

422071

PubChem CID:

135117128

Reduced:

SO6N10C36H46 (1)

Stoich.:

AB6C10D36E46 (1)

Weight, g/mol:

428.138148

ΔHf, kcal/mol:

-152.19

Dipole, Da:

11.78

IP(EA), eV:

 -8.38(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,4S)-3-hydroxy-4-propyl-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidine-4-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)CN5C=CC=N5)C

DOS

IR

Vibrations