Geometry & MOs

Info

ID:

80686

PubChem CID:

49835884

Reduced:

SN3O3H13C15 (1)

Stoich.:

AB3C3D13E15 (1)

Weight, g/mol:

518.231139

ΔHf, kcal/mol:

-59.11

Dipole, Da:

2.28

IP(EA), eV:

 -8.4(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[(2R,3R)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N,1-dimethylimidazole-4-sulfonamide

Drug info:

PubChemData

Smile

COC(=O)CN1C2=CC=CC=C2C3=C1C(=O)N4CCSC4=N3

DOS

IR

Vibrations