Geometry & MOs

Info

ID:	195002
PubChem CID:	78619418
Reduced:	FSO2N3H14C15 (1)
Stoich.:	ABC2D3E14F15 (1)
Weight, g/mol:	424.236208
ΔH_f, kcal/mol:	-26.61
Dipole, Da:	1.68
IP(EA), eV:	-8.49(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-methyl-2-phenylpentanoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=NNC(=S)NC2=CC=C(C=C2)F)O

DOS

IR

Vibrations