Geometry & MOs

Info

ID:

177551

PubChem CID:

76199437

Reduced:

SN3O4C23H29 (1)

Stoich.:

AB3C4D23E29 (1)

Weight, g/mol:

553.268905

ΔHf, kcal/mol:

-58.36

Dipole, Da:

7.69

IP(EA), eV:

 -8.94(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(1-hydroxypropan-2-yl)-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-8-pyrimidin-5-yl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

Drug info:

PubChemData

Smile

CC1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3=CC=CC=N3)OC1CN(C)C)C(C)CO

DOS

IR

Vibrations