Geometry & MOs

Info

ID:	31762
PubChem CID:	3718009
Reduced:	NSCl2O2F3H12C19 (1)
Stoich.:	ABC2D2E3F12G19 (1)
Weight, g/mol:	303.147058
ΔH_f, kcal/mol:	-184.55
Dipole, Da:	9.7
IP(EA), eV:	-9.11(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 4-[1-[(4-methylphenyl)methylamino]ethylidene]pent-2-enedioate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(F)(F)F)NC(=O)C2=C(C=CS2)OCC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations