Geometry & MOs

Info

ID:	169350
PubChem CID:	75091017
Reduced:	BrClO3C21H22 (1)
Stoich.:	ABC3D21E22 (1)
Weight, g/mol:	573.272653
ΔH_f, kcal/mol:	-139.47
Dipole, Da:	5.47
IP(EA), eV:	-9.79(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[methyl-[3-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyloxy]propyl]amino]propyl 3-(4-phenylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1CC(C(=O)C2=C1C=CC(=C2)Br)(C(=O)OC34CC5CC(C3)CC(C5)C4)Cl

DOS

IR

Vibrations