Geometry & MOs

Info

ID:	138861
PubChem CID:	52435670
Reduced:	NS2O4C22H25 (1)
Stoich.:	AB2C4D22E25 (1)
Weight, g/mol:	459.152715
ΔH_f, kcal/mol:	-137.62
Dipole, Da:	5.92
IP(EA), eV:	-9.01(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)CN([C@H]2CCS(=O)(=O)C2)C(=O)C3=CC4=C(S3)C5=CC=CC=C5CC4

DOS

IR

Vibrations