Geometry & MOs

Info

ID:	144529
PubChem CID:	53382405
Reduced:	OH18C19 (1)
Stoich.:	AB18C19 (1)
Weight, g/mol:	497.219572
ΔH_f, kcal/mol:	27.68
Dipole, Da:	1.61
IP(EA), eV:	-9.26(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(3-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

C1C=C(CC(O1)/C=C/C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations