Geometry & MOs

Info

ID:	398149
PubChem CID:	135031984
Reduced:	NOC21H29 (1)
Stoich.:	ABC21D29 (1)
Weight, g/mol:	400.037448
ΔH_f, kcal/mol:	7.42
Dipole, Da:	0.92
IP(EA), eV:	-8.67(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-ethyl [(4R,5R)-1,3-diacetyl-2-oxo-5-(3,3,3-trifluoro-2-oxopropyl)imidazolidin-4-yl]sulfanylmethanethioate

Drug info:

PubChemData

Smile

CCO/C(=C/1\CN(CC1CCC=C)CC2=CC=CC=C2)/CC=C

DOS

IR

Vibrations