Geometry & MOs

Info

ID:

322285

PubChem CID:

126669596

Reduced:

ClO5N8C24H33 (1)

Stoich.:

AB5C8D24E33 (1)

Weight, g/mol:

431.185649

ΔHf, kcal/mol:

-146.49

Dipole, Da:

5.53

IP(EA), eV:

 -9.22(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3S,4R)-3-[(4-fluorophenyl)carbamoylamino]-4-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-2-oxopyrrolidin-1-yl]propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCNCCN(CC[C@@H](C(=O)O)N)CC2[C@H]([C@H](C(O2)N3C=NC4=C(N=CN=C43)N)O)O)Cl

DOS

IR

Vibrations