Geometry & MOs

Info

ID:

335841

PubChem CID:

127254703

Reduced:

BrN2O5H27C35 (1)

Stoich.:

AB2C5D27E35 (1)

Weight, g/mol:

433.120462

ΔHf, kcal/mol:

14.61

Dipole, Da:

8.25

IP(EA), eV:

 -8.58(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-(3-chloro-2-fluorophenyl)-3-[4-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-2-oxopyridin-3-yl]propanoate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C(=O)[C@@H]2[C@@H](N3C([C@]24C5=CC=CC=C5NC4=O)C=CC6=CC=CC=C63)C(=O)C7=CC=C(C=C7)Br

DOS

IR

Vibrations