Geometry & MOs

Info

ID:	219846
PubChem CID:	85164957
Reduced:	N2S2O7H30C31 (1)
Stoich.:	A2B2C7D30E31 (1)
Weight, g/mol:	606.27701
ΔH_f, kcal/mol:	-190.78
Dipole, Da:	3.8
IP(EA), eV:	-8.89(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[4-(2-benzyl-1-benzofuran-3-yl)phenyl]-2-cyclopentylphenoxy]-3-phenylpropanoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COC(=O)C2=C(CSC3N2C(=O)C3NC(=O)CC4=CC=CC=C4)SC5=C(C=C(C=C5)CO)CO

DOS

IR

Vibrations