Geometry & MOs

Info

ID:	398496
PubChem CID:	135033517
Reduced:	NO2S3C11H15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	430.016577
ΔH_f, kcal/mol:	-52.85
Dipole, Da:	5.2
IP(EA), eV:	-9.43(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-ethyl [5,5,5-trifluoro-4-hydroxy-1-(2-oxothiolan-3-yl)-4-(trifluoromethyl)pentan-2-yl]sulfanylmethanethioate

Drug info:

PubChemData

Smile

CCOC(=S)SC(CC#N)CC1CCSC1=O

DOS

IR

Vibrations