Geometry & MOs

Info

ID:

225649

PubChem CID:

87219150

Reduced:

FSN4O4H23C28 (1)

Stoich.:

ABC4D4E23F28 (1)

Weight, g/mol:

668.304385

ΔHf, kcal/mol:

-59.21

Dipole, Da:

4.27

IP(EA), eV:

 -8.84(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[[2-ethoxy-4-ethyl-5-[[[(2S)-4-methyl-2-(3-morpholin-4-ylpropanoylsulfanyl)pentanoyl]amino]methyl]imidazol-1-yl]methyl]-3-fluorophenyl]benzoic acid

Drug info:

PubChemData

Smile

C1CC1C(=O)NC2=NC3=C(S2)C=C(C=C3)OC4=C(C=C(C=C4)N(C5=CC=CC=C5)C(=O)C6(CC6)C(=O)N)F

DOS

IR

Vibrations