Geometry & MOs

Info

ID:	396671
PubChem CID:	135029014
Reduced:	O7C26H26 (1)
Stoich.:	A7B26C26 (1)
Weight, g/mol:	450.167853
ΔH_f, kcal/mol:	-214.59
Dipole, Da:	2.42
IP(EA), eV:	-8.77(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3R)-3-(3,5-dimethoxyphenyl)-6-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-4-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H]2[C@H](C3=C(C=C(C=C3O2)OC)C(=O)OC)C4=CC(=CC(=C4)OC)OC

DOS

IR

Vibrations