Geometry & MOs

Info

ID:

225638

PubChem CID:

87219106

Reduced:

S2N3O3C28H29 (1)

Stoich.:

A2B3C3D28E29 (1)

Weight, g/mol:

531.200334

ΔHf, kcal/mol:

-35.02

Dipole, Da:

7.58

IP(EA), eV:

 -8.93(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[[2-ethoxy-4-(fluoromethyl)-5-[[(4-methyl-2-sulfanylpentanoyl)amino]methyl]imidazol-1-yl]methyl]-3-fluorophenyl]benzoic acid

Drug info:

PubChemData

Smile

CCC[C@@H](C(=O)NC1=NC=C(S1)C2=CC=CC=C2COC3=CC=CC=C3)NC(=O)CC4=CC=C(S4)C

DOS

IR

Vibrations