Geometry & MOs

Info

ID:

170534

PubChem CID:

75248345

Reduced:

BrN2O2C20H21 (1)

Stoich.:

AB2C2D20E21 (1)

Weight, g/mol:

536.243498

ΔHf, kcal/mol:

-54.6

Dipole, Da:

4.43

IP(EA), eV:

 -8.87(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CN(C(=O)C1CC(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)Br)C

DOS

IR

Vibrations