Geometry & MOs

Info

ID:

177545

PubChem CID:

76199431

Reduced:

N3O5C32H35 (1)

Stoich.:

A3B5C32D35 (1)

Weight, g/mol:

470.232934

ΔHf, kcal/mol:

-98.25

Dipole, Da:

6.46

IP(EA), eV:

 -9.11(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-1-[[5-(1-hydroxypropan-2-yl)-3-methyl-6-oxo-8-prop-1-enyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea

Drug info:

PubChemData

Smile

CC1CN(C(=O)C2=C(N=CC(=C2)C#CCC3=CC=CC=C3)OC1CN(C)CC4=CC=C(C=C4)C(=O)O)C(C)CO

DOS

IR

Vibrations