Geometry & MOs

Info

ID:	45040
PubChem CID:	10507440
Reduced:	O3C40H50 (1)
Stoich.:	A3B40C50 (1)
Weight, g/mol:	577.06555
ΔH_f, kcal/mol:	-119.14
Dipole, Da:	1.76
IP(EA), eV:	-8.01(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3S)-3-acetyloxy-1-bromo-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]propyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C(C2=CC=CC=C2)(C3=CC(=CC(=C3O)C(C)(C)C)C)C4=CC(=CC(=C4O)C(C)(C)C)C)O)C(C)(C)C

DOS

IR

Vibrations