Geometry & MOs

Info

ID:

299034

PubChem CID:

117669315

Reduced:

ClFON7C24H29 (1)

Stoich.:

ABCD7E24F29 (1)

Weight, g/mol:

576.153553

ΔHf, kcal/mol:

-22.09

Dipole, Da:

5.83

IP(EA), eV:

 -8.84(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethoxycarbonyloxymethyl (2R)-3-[[4-(5-chloro-2-fluorophenyl)phenyl]methyl-[(1-prop-2-enyltetrazole-5-carbonyl)amino]amino]-2-hydroxypropanoate

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)Cl)C(=N1)C3=NC=C(C(=N3)N[C@H]4CCC[C@H](C4)NC(=O)N5CCCCC5)F

DOS

IR

Vibrations