Geometry & MOs

Info

ID:

435148

PubChem CID:

135182118

Reduced:

N3F4O4H17C23 (1)

Stoich.:

A3B4C4D17E23 (1)

Weight, g/mol:

519.08759

ΔHf, kcal/mol:

-264.55

Dipole, Da:

4.12

IP(EA), eV:

 -9.59(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cyclopropyl 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-7-oxa-1,3-diazaspiro[4.4]nonan-1-yl]-2-fluorobenzoate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C(C=C1)N2C(=C)N(C(=O)[C@]23CCOC3)C4=CC(=C(C=C4)C#N)C(F)(F)F)F

DOS

IR

Vibrations