Geometry & MOs

Info

ID:	190488
PubChem CID:	78011502
Reduced:	ClO7C23H25 (1)
Stoich.:	AB7C23D25 (1)
Weight, g/mol:	434.113231
ΔH_f, kcal/mol:	-263.08
Dipole, Da:	4.02
IP(EA), eV:	-8.75(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-chloro-5-[(4-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-7-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2=CC(=C3CCCOC3=C2Cl)C4C(=O)C(C(C(O4)CO)O)O

DOS

IR

Vibrations