Geometry & MOs

Info

ID:	147733
PubChem CID:	53787390
Reduced:	O2C25H42 (1)
Stoich.:	A2B25C42 (1)
Weight, g/mol:	620.226883
ΔH_f, kcal/mol:	-70.68
Dipole, Da:	8.09
IP(EA), eV:	-10.55(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[5-[[acetyl-[1-(4-fluorophenyl)-2-imidazol-1-ylethyl]amino]methyl]-2-[(4-fluorophenyl)methyl]benzoyl]amino] 4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCC#CC#CC(=O)O

DOS

IR

Vibrations