Geometry & MOs

Info

ID:

128267

PubChem CID:

51036991

Reduced:

N2O2H12C13 (1)

Stoich.:

A2B2C12D13 (1)

Weight, g/mol:

825.467664

ΔHf, kcal/mol:

-31.35

Dipole, Da:

6.45

IP(EA), eV:

 -9.0(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclohexyl-N-[2-[2-(5-hydroxy-3-oxo-4H-1,4-benzoxazin-8-yl)ethylamino]ethyl]-3-[2-[3-[[4-(3-hydroxy-2-phenylpropanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C1)C2=CC3=C(C=C2)C(=O)CC3

DOS

IR

Vibrations