Geometry & MOs

Info

ID:

420269

PubChem CID:

135112163

Reduced:

F3N6O7C37H47 (1)

Stoich.:

A3B6C7D37E47 (1)

Weight, g/mol:

325.14895

ΔHf, kcal/mol:

-452.64

Dipole, Da:

13.16

IP(EA), eV:

 -9.06(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(difluoromethoxy)phenyl]-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)NC(=O)CC4=CC=C(C=C4)C(F)(F)F)O

DOS

IR

Vibrations