Geometry & MOs

Info

ID:

234210

PubChem CID:

92297928

Reduced:

FSO3N6H27C28 (1)

Stoich.:

ABC3D6E27F28 (1)

Weight, g/mol:

531.219429

ΔHf, kcal/mol:

-72.75

Dipole, Da:

3.49

IP(EA), eV:

 -8.77(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-cyclopentyl-2-[(2-fluorophenyl)methyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)[C@H](C2=CC3=C(C=C2)N=CC=C3)N(CC4=CC=CC=C4F)C(=O)C5=C(C(=NS5)C(=O)N)N

DOS

IR

Vibrations