Geometry & MOs

Info

ID:

180610

PubChem CID:

76660669

Reduced:

FN2O6C41H49 (1)

Stoich.:

AB2C6D41E49 (1)

Weight, g/mol:

644.326165

ΔHf, kcal/mol:

-295.79

Dipole, Da:

7.55

IP(EA), eV:

 -8.53(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 7-[2-(4-fluorophenyl)-4-[[4-(hydroxymethyl)phenyl]carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=C(N1CCC2CC(OC(O2)(C)C)CC(=O)OC(C)(C)C)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)CO

DOS

IR

Vibrations