Geometry & MOs

Info

ID:	185422
PubChem CID:	77298804
Reduced:	BrO5H25C27 (1)
Stoich.:	AB5C25D27 (1)
Weight, g/mol:	506.194068
ΔH_f, kcal/mol:	-159.72
Dipole, Da:	0.93
IP(EA), eV:	-9.23(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1,8b-dihydroxy-6-(3-hydroxypropoxy)-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)OC3(C2(C(C(C3C4=CC=CC=C4)C(=O)OC)O)O)C5=CC=C(C=C5)Br)C

DOS

IR

Vibrations