Geometry & MOs

Info

ID:

176301

PubChem CID:

76030274

Reduced:

N2O3C12H19 (2)

Stoich.:

A2B3C12D19 (2)

Weight, g/mol:

541.245786

ΔHf, kcal/mol:

-240.25

Dipole, Da:

4.55

IP(EA), eV:

 -9.19(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-hydroxy-1-(4-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(3-morpholin-4-ylpropyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)NC(=O)N2CC(COCC3C2CCC(O3)CC(=O)NCC4CCCCC4)O

DOS

IR

Vibrations