Geometry & MOs

Info

ID:

49600

PubChem CID:

11533339

Reduced:

O3N6C28H28 (1)

Stoich.:

A3B6C28D28 (1)

Weight, g/mol:

496.187937

ΔHf, kcal/mol:

-35.36

Dipole, Da:

1.85

IP(EA), eV:

 -8.91(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-hydroxy-8-[1-hydroxy-2-[[1-(4-hydroxy-2,6-dimethylphenyl)-2-methylpropan-2-yl]amino]ethyl]-4H-1,4-benzoxazin-3-one;methanesulfonic acid

Drug info:

PubChemData

Smile

CC1(CN(C(C2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NC4=CN=C5C=CN=CC5=C4)(C)C)C(=O)O)C

DOS

IR

Vibrations