Geometry & MOs

Info

ID:	47047
PubChem CID:	10529164
Reduced:	O5N6C25H28 (1)
Stoich.:	A5B6C25D28 (1)
Weight, g/mol:	492.23006
ΔH_f, kcal/mol:	-144.02
Dipole, Da:	10.22
IP(EA), eV:	-8.83(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[(E)-2-phenyl-1-(3-phenylmethoxyphenyl)but-1-enyl]phenoxy]acetate

Drug info:

PubChemData

Smile

CC1=C2C(=NC(=NC2=NC=C1CC(CC=C)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N)N

DOS

IR

Vibrations