Geometry & MOs

Info

ID:	375726
PubChem CID:	134220969
Reduced:	OSN3C18H19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	552.308704
ΔH_f, kcal/mol:	51.43
Dipole, Da:	5.75
IP(EA), eV:	-7.77(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[4-[3-[4-(2-ethoxyprop-2-enoxymethyl)-4-ethyl-3-oxohex-1-ynyl]phenyl]-2-oxobut-3-ynoxy]methyl]-2-ethylbutanoate

Drug info:

PubChemData

Smile

C1CN2CCSN=C2N(C1)C3=CC=C(C=C3)OC4=CC=CC=C4

DOS

IR

Vibrations