Geometry & MOs

Info

ID:

177570

PubChem CID:

76199626

Reduced:

SN3O5C24H37 (1)

Stoich.:

AB3C5D24E37 (1)

Weight, g/mol:

468.273656

ΔHf, kcal/mol:

-203.02

Dipole, Da:

4.75

IP(EA), eV:

 -9.09(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(dimethylamino)-N-[[5-(1-hydroxypropan-2-yl)-3-methyl-8-(4-methylphenyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CCCNC(=O)N(C)CC1C(CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C3=CCCC3)C(C)CO)C

DOS

IR

Vibrations