Geometry & MOs

Info

ID:

436470

PubChem CID:

135203338

Reduced:

O10N11C64H109 (1)

Stoich.:

A10B11C64D109 (1)

Weight, g/mol:

490.044075

ΔHf, kcal/mol:

-590.99

Dipole, Da:

12.13

IP(EA), eV:

 -9.0(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[2-(3,3,3-trichloropropanoylamino)-4-(trifluoromethyl)phenoxy]azetidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)N[C@@H](C)CN(C)C)NC(=O)C1=CC=CN1C(=O)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations