Geometry & MOs

Info

ID:

420700

PubChem CID:

135114680

Reduced:

SO6N9C38H47 (1)

Stoich.:

AB6C9D38E47 (1)

Weight, g/mol:

293.153955

ΔHf, kcal/mol:

-166.96

Dipole, Da:

12.67

IP(EA), eV:

 -8.36(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2-fluoro-3-methoxyphenyl)methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N(CC(=O)N1)C)CC3=CNC4=CC=CC=C43)CC(C)C)C(=O)C5=CN=C(C=C5)C)C

DOS

IR

Vibrations