Geometry & MOs

Info

ID:

431994

PubChem CID:

135172122

Reduced:

O3N4C29H32 (1)

Stoich.:

A3B4C29D32 (1)

Weight, g/mol:

773.33123

ΔHf, kcal/mol:

-35.29

Dipole, Da:

4.21

IP(EA), eV:

 -8.5(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[(1R)-1-hydroxy-2-[[(2R)-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)CN(C1CCCCC1)C2=C(C=C(C=C2)C3=C(N=CC=C3)C(=O)O)NC4=NC5=CC=CC=C5O4

DOS

IR

Vibrations