Geometry & MOs

Info

ID:

145130

PubChem CID:

53468414

Reduced:

ClN2O7H37C41 (1)

Stoich.:

AB2C7D37E41 (1)

Weight, g/mol:

611.292613

ΔHf, kcal/mol:

-175.64

Dipole, Da:

3.9

IP(EA), eV:

 -8.85(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[4-[(1R)-1-[2-(3-chloro-4-fluorophenyl)-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1C(=O)N(C(=O)N1C2=CC=C(C=C2)CC3=C(C=CC(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)Cl)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations