Geometry & MOs

Info

ID:	310505
PubChem CID:	126581101
Reduced:	ClFN3O4C23H23 (1)
Stoich.:	ABC3D4E23F23 (1)
Weight, g/mol:	556.03776
ΔH_f, kcal/mol:	-92.7
Dipole, Da:	6.45
IP(EA), eV:	-8.88(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-[[4-bromo-5-(6-methoxy-1-benzothiophen-4-yl)thiophen-3-yl]methoxy]phenyl]-3-cyclopropylpropanoate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)F)N2C(=C(N=N2)COC3=CC=CC(=C3)[C@@H](CC(=O)OC)C4CC4)Cl

DOS

IR

Vibrations