Geometry & MOs

Info

ID:	176317
PubChem CID:	76033087
Reduced:	SN3O7C23H31 (1)
Stoich.:	AB3C7D23E31 (1)
Weight, g/mol:	558.08893
ΔH_f, kcal/mol:	-264.76
Dipole, Da:	1.31
IP(EA), eV:	-9.21(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2-bromo-4-phenylmethoxyphenyl)-3,4-dihydroxy-6-(3-hydroxypropoxy)-2H-1-benzofuran-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC2=NC(=NC(=C2C=CC(CC(CC(=O)O)O)O)C(C)C)N(C)S(=O)(=O)C

DOS

IR

Vibrations