Geometry & MOs

Info

ID:

314275

PubChem CID:

126621127

Reduced:

O2S2N8H26C27 (1)

Stoich.:

A2B2C8D26E27 (1)

Weight, g/mol:

489.112325

ΔHf, kcal/mol:

135.08

Dipole, Da:

4.2

IP(EA), eV:

 -9.71(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]carbamate

Drug info:

PubChemData

Smile

C[C@@H](C1=CN=CC=C1)C(=O)NC2=NN=C(S2)[C@H]3CC[C@H](C3)CC4=NN=C(S4)NC(=O)[C@@H](C#C)C5=CN=CC=C5

DOS

IR

Vibrations