Geometry & MOs

Info

ID:

431996

PubChem CID:

135172124

Reduced:

N2O5C28H32 (1)

Stoich.:

A2B5C28D32 (1)

Weight, g/mol:

773.33123

ΔHf, kcal/mol:

-148.75

Dipole, Da:

1.81

IP(EA), eV:

 -8.63(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[1-hydroxy-2-[[2-hydroxy-2-(3-oxo-6-phenylmethoxy-4H-1,4-benzoxazin-8-yl)ethyl]-[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]ethyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC(C)(CC1=CC=C(C=C1)OC)NC(CO)C2=C3C(=CC(=C2)OCC4=CC=CC=C4)NC(=O)CO3

DOS

IR

Vibrations