Geometry & MOs

Info

ID:	218168
PubChem CID:	85088985
Reduced:	SN2F3O3H19C21 (1)
Stoich.:	AB2C3D3E19F21 (1)
Weight, g/mol:	436.17467
ΔH_f, kcal/mol:	-212.63
Dipole, Da:	4.11
IP(EA), eV:	-9.0(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-ethyl 4-O-methyl 2-cyano-3-[C-methyl-N-(phenylcarbamoylamino)carbonimidoyl]-2-phenylbutanedioate

Drug info:

PubChemData

Smile

CN(C)CCN1C(=O)C(=CC2=CC=C(C=C2)OC3=CC=C(C=C3)C(F)(F)F)SC1=O

DOS

IR

Vibrations