Geometry & MOs

Info

ID:	220636
PubChem CID:	85198117
Reduced:	NO6H17C18 (1)
Stoich.:	AB6C17D18 (1)
Weight, g/mol:	343.139528
ΔH_f, kcal/mol:	-207.67
Dipole, Da:	4.74
IP(EA), eV:	-9.14(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,3,4-trimethyl-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]pent-4-enoate

Drug info:

PubChemData

Smile

COC(=O)C12CCN3C1C(CC(=O)C2)C4=CC5=C(C=C4C3=O)OCO5

DOS

IR

Vibrations