Geometry & MOs

Info

ID:	49999
PubChem CID:	11538672
Reduced:	N2O2F3C22H23 (1)
Stoich.:	A2B2C3D22E23 (1)
Weight, g/mol:	405.088223
ΔH_f, kcal/mol:	-148.91
Dipole, Da:	9.62
IP(EA), eV:	-8.5(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(E)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]oxypropanedioate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCCCN(CC2CC2)C3=CC(=C(C=C3)C#N)C(F)(F)F

DOS

IR

Vibrations