Geometry & MOs

Info

ID:

125174

PubChem CID:

50913197

Reduced:

NC3H3 (6)

Stoich.:

AB3C3 (6)

Weight, g/mol:

839.446929

ΔHf, kcal/mol:

105.73

Dipole, Da:

5.22

IP(EA), eV:

 -8.7(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1CCC2C3=CC=CC=C3)NC4=CN=CN=C4

DOS

IR

Vibrations