Geometry & MOs

Info

ID:

225647

PubChem CID:

87219122

Reduced:

SiN5O6C45H57 (1)

Stoich.:

AB5C6D45E57 (1)

Weight, g/mol:

583.251621

ΔHf, kcal/mol:

-228.31

Dipole, Da:

5.9

IP(EA), eV:

 -8.81(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[4-[[5-[[(2-acetylsulfanyl-4-methylpentanoyl)amino]methyl]-2-ethoxy-4-ethylimidazol-1-yl]methyl]-3-fluorophenyl]benzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N(C)C(=O)CCN2CCC(CC2)OC(=O)NC3=CC=CC=C3C4=CC=CC=C4)C=NCC(C5=CC(=C(C=C5)O)NC=O)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations